 Entering Gaussian System, Link 0=g16
 Input=23_tartaric_acid_300_STD_wB97XD-augccpVDZr.in
 Output=23_tartaric_acid_300_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/23_tartaric_acid_300_STD/Gau-28921.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/23_tartaric_acid_300_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     28922.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=23_tartaric_acid_300_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 22:50:58 2021, MaxMem= 10737418240 cpu:               2.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "23_tartaric_acid_300_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.464416000000     -0.510638000000     -0.301760000000
  O                                                -1.226068000000     -1.649988000000     -0.632869000000
  O                                                -2.372478000000      0.237815000000     -0.908297000000
  C                                                -0.752797000000      0.166934000000      0.877420000000
  C                                                 0.752808000000     -0.166909000000      0.877405000000
  C                                                 1.464382000000      0.510618000000     -0.301784000000
  O                                                 1.226101000000      1.650002000000     -0.632837000000
  O                                                -1.004751000000      1.555168000000      0.901145000000
  O                                                 1.004808000000     -1.555150000000      0.901196000000
  O                                                 2.372410000000     -0.237840000000     -0.908359000000
  H                                                -1.183171000000     -0.268641000000      1.783396000000
  H                                                 1.183171000000      0.268677000000      1.783379000000
  H                                                 2.347339000000     -1.116286000000     -0.478105000000
  H                                                -2.347390000000      1.116250000000     -0.478019000000
  H                                                -0.303553000000      1.976048000000      0.360817000000
  H                                                 0.303578000000     -1.976155000000      0.361020000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     16 NQM=       16 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          16          16          12          12          12          16          16          16          16
 AtmWgt=  12.0000000  15.9949146  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   5.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   8.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   8.0000000

  Atom        11          12          13          14          15          16
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Jul  8 22:50:59 2021, MaxMem= 10737418240 cpu:               2.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.464416   -0.510638   -0.301760
      2          8           0       -1.226068   -1.649988   -0.632869
      3          8           0       -2.372478    0.237815   -0.908297
      4          6           0       -0.752797    0.166934    0.877420
      5          6           0        0.752808   -0.166909    0.877405
      6          6           0        1.464382    0.510618   -0.301784
      7          8           0        1.226101    1.650002   -0.632837
      8          8           0       -1.004751    1.555168    0.901145
      9          8           0        1.004808   -1.555150    0.901196
     10          8           0        2.372410   -0.237840   -0.908359
     11          1           0       -1.183171   -0.268641    1.783396
     12          1           0        1.183171    0.268677    1.783379
     13          1           0        2.347339   -1.116286   -0.478105
     14          1           0       -2.347390    1.116250   -0.478019
     15          1           0       -0.303553    1.976048    0.360817
     16          1           0        0.303578   -1.976155    0.361020
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  O    1.210191   0.000000
     3  O    1.323875   2.225740   0.000000
     4  C    1.534917   2.409598   2.411882   0.000000
     5  C    2.534692   2.897654   3.622147   1.542173   0.000000
     6  C    3.101745   3.466462   3.894069   2.534664   1.534883
     7  O    3.466534   4.111334   3.875554   2.897655   2.409565
     8  O    2.434302   3.560225   2.623009   1.411112   2.460717
     9  O    2.938567   2.709088   4.230254   2.460755   1.411128
    10  O    3.894049   3.875448   4.768670   3.622122   2.411865
    11  H    2.117909   2.783576   2.985994   1.093499   2.139903
    12  H    3.459025   3.914583   4.459676   2.139880   1.093497
    13  H    3.863597   3.616356   4.929029   3.618694   2.298098
    14  H    1.859429   2.988882   0.978477   2.298074   3.618687
    15  H    2.823158   3.871251   2.985390   1.934320   2.444387
    16  H    2.390151   1.853110   3.697851   2.444469   1.934382
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.210194   0.000000
     8  O    2.938493   2.709021   0.000000
     9  O    2.434290   3.560229   3.703027   0.000000
    10  O    1.323872   2.225732   4.230177   2.623000   0.000000
    11  H    3.459011   3.914584   2.033834   2.687124   4.459669
    12  H    2.117905   2.783523   2.687080   2.033815   2.986018
    13  H    1.859440   2.988890   4.502833   1.974199   0.978476
    14  H    3.863606   3.616448   1.974189   4.502871   4.929023
    15  H    2.390004   1.852969   0.980190   3.804363   3.697687
    16  H    2.823263   3.871410   3.804432   0.980183   2.985486
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.426579   0.000000
    13  H    4.277545   2.896156   0.000000
    14  H    2.896088   4.277518   5.198528   0.000000
    15  H    2.799301   2.673789   4.158551   2.370689   0.000000
    16  H    2.673795   2.799296   2.370752   4.158676   3.998564
                   16
    16  H    0.000000
 Stoichiometry    C4H6O6
 Framework group  C1[X(C4H6O6)]
 Deg. of freedom    42
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.85D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.464416   -0.510638   -0.301760
      2          8           0       -1.226068   -1.649988   -0.632869
      3          8           0       -2.372478    0.237815   -0.908297
      4          6           0       -0.752797    0.166934    0.877420
      5          6           0        0.752808   -0.166909    0.877405
      6          6           0        1.464382    0.510618   -0.301784
      7          8           0        1.226101    1.650002   -0.632837
      8          8           0       -1.004751    1.555168    0.901145
      9          8           0        1.004808   -1.555150    0.901196
     10          8           0        2.372410   -0.237840   -0.908359
     11          1           0       -1.183171   -0.268641    1.783396
     12          1           0        1.183171    0.268677    1.783379
     13          1           0        2.347339   -1.116286   -0.478105
     14          1           0       -2.347390    1.116250   -0.478019
     15          1           0       -0.303553    1.976048    0.360817
     16          1           0        0.303578   -1.976155    0.361020
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.8283046           1.1678491           0.9656679
 Leave Link  202 at Thu Jul  8 22:50:59 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     16
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      4      5      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      7      8      9     10
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 328 were deleted.
 There are   304 symmetry adapted cartesian basis functions of A   symmetry.
 There are   284 symmetry adapted basis functions of A   symmetry.
   284 basis functions,   542 primitive gaussians,   304 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       591.3890664853 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   16 NActive=   16 NUniq=   16 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0084895240 Hartrees.
 Nuclear repulsion after empirical dispersion term =      591.3805769614 Hartrees.
 Leave Link  301 at Thu Jul  8 22:51:02 2021, MaxMem= 10737418240 cpu:              34.2 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   284 RedAO= T EigKep=  1.72D-05  NBF=   284
 NBsUse=   284 1.00D-06 EigRej= -1.00D+00 NBFU=   284
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   304   304   304   304   304 MxSgAt=    16 MxSgA2=    16.
 Leave Link  302 at Thu Jul  8 22:51:03 2021, MaxMem= 10737418240 cpu:               6.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 22:51:03 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "23_tartaric_acid_300_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 22:51:04 2021, MaxMem= 10737418240 cpu:               6.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737225648 LenY= 10737132791
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -607.317242082617    
 DIIS: error= 2.53D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -607.317242082617     IErMin= 1 ErrMin= 2.53D-03
 ErrMax= 2.53D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.48D-03 BMatP= 9.48D-03
 IDIUse=3 WtCom= 9.75D-01 WtEn= 2.53D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.415 Goal=   None    Shift=    0.000
 GapD=    0.415 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=7.36D-03 MaxDP=3.03D-01              OVMax= 1.18D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.14D-03    CP:  9.30D-01
 E= -607.324375221866     Delta-E=       -0.007133139249 Rises=F Damp=F
 DIIS: error= 4.56D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -607.324375221866     IErMin= 2 ErrMin= 4.56D-04
 ErrMax= 4.56D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.53D-04 BMatP= 9.48D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.56D-03
 Coeff-Com: -0.189D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.188D-01 0.102D+01
 Gap=     0.404 Goal=   None    Shift=    0.000
 RMSDP=9.64D-04 MaxDP=3.11D-02 DE=-7.13D-03 OVMax= 3.88D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.26D-04    CP:  9.22D-01  1.11D+00
 E= -607.324512902516     Delta-E=       -0.000137680650 Rises=F Damp=F
 DIIS: error= 4.93D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -607.324512902516     IErMin= 2 ErrMin= 4.56D-04
 ErrMax= 4.93D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.68D-04 BMatP= 2.53D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.93D-03
 Coeff-Com: -0.415D-01 0.532D+00 0.510D+00
 Coeff-En:   0.000D+00 0.251D+00 0.749D+00
 Coeff:     -0.413D-01 0.530D+00 0.511D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=1.23D-04 MaxDP=3.59D-03 DE=-1.38D-04 OVMax= 1.80D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.24D-05    CP:  9.21D-01  1.12D+00  1.09D+00
 E= -607.324689957070     Delta-E=       -0.000177054554 Rises=F Damp=F
 DIIS: error= 5.34D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -607.324689957070     IErMin= 4 ErrMin= 5.34D-05
 ErrMax= 5.34D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.68D-06 BMatP= 2.53D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.702D-02 0.324D-01 0.902D-01 0.884D+00
 Coeff:     -0.702D-02 0.324D-01 0.902D-01 0.884D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=6.62D-05 MaxDP=2.35D-03 DE=-1.77D-04 OVMax= 5.13D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.63D-05    CP:  9.20D-01  1.12D+00  1.17D+00  1.05D+00
 E= -607.324694204740     Delta-E=       -0.000004247670 Rises=F Damp=F
 DIIS: error= 3.86D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -607.324694204740     IErMin= 5 ErrMin= 3.86D-05
 ErrMax= 3.86D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-06 BMatP= 3.68D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.172D-02-0.430D-01-0.263D-01 0.352D+00 0.716D+00
 Coeff:      0.172D-02-0.430D-01-0.263D-01 0.352D+00 0.716D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=1.93D-05 MaxDP=6.65D-04 DE=-4.25D-06 OVMax= 2.76D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.92D-06    CP:  9.20D-01  1.12D+00  1.20D+00  1.13D+00  1.18D+00
 E= -607.324695143479     Delta-E=       -0.000000938739 Rises=F Damp=F
 DIIS: error= 1.18D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -607.324695143479     IErMin= 6 ErrMin= 1.18D-05
 ErrMax= 1.18D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-07 BMatP= 1.01D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.133D-02-0.232D-01-0.190D-01 0.113D+00 0.350D+00 0.578D+00
 Coeff:      0.133D-02-0.232D-01-0.190D-01 0.113D+00 0.350D+00 0.578D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=3.41D-06 MaxDP=1.22D-04 DE=-9.39D-07 OVMax= 7.80D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.07D-06    CP:  9.20D-01  1.12D+00  1.20D+00  1.14D+00  1.24D+00
                    CP:  1.09D+00
 E= -607.324695248956     Delta-E=       -0.000000105477 Rises=F Damp=F
 DIIS: error= 3.55D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -607.324695248956     IErMin= 7 ErrMin= 3.55D-06
 ErrMax= 3.55D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-08 BMatP= 1.39D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.153D-03-0.782D-03-0.160D-02-0.226D-01-0.214D-02 0.207D+00
 Coeff-Com:  0.820D+00
 Coeff:      0.153D-03-0.782D-03-0.160D-02-0.226D-01-0.214D-02 0.207D+00
 Coeff:      0.820D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=2.15D-06 MaxDP=1.05D-04 DE=-1.05D-07 OVMax= 4.58D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.57D-07    CP:  9.20D-01  1.12D+00  1.20D+00  1.14D+00  1.28D+00
                    CP:  1.18D+00  1.06D+00
 E= -607.324695262194     Delta-E=       -0.000000013239 Rises=F Damp=F
 DIIS: error= 7.13D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -607.324695262194     IErMin= 8 ErrMin= 7.13D-07
 ErrMax= 7.13D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.31D-10 BMatP= 1.10D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.573D-04 0.160D-02 0.126D-02-0.151D-01-0.266D-01-0.350D-02
 Coeff-Com:  0.207D+00 0.836D+00
 Coeff:     -0.573D-04 0.160D-02 0.126D-02-0.151D-01-0.266D-01-0.350D-02
 Coeff:      0.207D+00 0.836D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=5.98D-07 MaxDP=3.35D-05 DE=-1.32D-08 OVMax= 8.45D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.92D-07    CP:  9.20D-01  1.12D+00  1.20D+00  1.14D+00  1.29D+00
                    CP:  1.20D+00  1.12D+00  1.13D+00
 E= -607.324695263162     Delta-E=       -0.000000000968 Rises=F Damp=F
 DIIS: error= 2.86D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -607.324695263162     IErMin= 9 ErrMin= 2.86D-07
 ErrMax= 2.86D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-10 BMatP= 7.31D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.390D-04 0.709D-03 0.681D-03-0.381D-02-0.943D-02-0.237D-01
 Coeff-Com:  0.681D-02 0.304D+00 0.725D+00
 Coeff:     -0.390D-04 0.709D-03 0.681D-03-0.381D-02-0.943D-02-0.237D-01
 Coeff:      0.681D-02 0.304D+00 0.725D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=1.48D-07 MaxDP=5.10D-06 DE=-9.68D-10 OVMax= 4.00D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.70D-08    CP:  9.20D-01  1.12D+00  1.20D+00  1.14D+00  1.29D+00
                    CP:  1.20D+00  1.13D+00  1.21D+00  1.12D+00
 E= -607.324695263292     Delta-E=       -0.000000000130 Rises=F Damp=F
 DIIS: error= 1.30D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -607.324695263292     IErMin=10 ErrMin= 1.30D-07
 ErrMax= 1.30D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.73D-11 BMatP= 1.06D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.798D-05 0.641D-04 0.930D-04 0.440D-03-0.143D-04-0.101D-01
 Coeff-Com: -0.221D-01-0.265D-02 0.281D+00 0.753D+00
 Coeff:     -0.798D-05 0.641D-04 0.930D-04 0.440D-03-0.143D-04-0.101D-01
 Coeff:     -0.221D-01-0.265D-02 0.281D+00 0.753D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=4.99D-08 MaxDP=1.30D-06 DE=-1.30D-10 OVMax= 1.27D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.10D-08    CP:  9.20D-01  1.12D+00  1.20D+00  1.14D+00  1.29D+00
                    CP:  1.20D+00  1.13D+00  1.22D+00  1.17D+00  1.07D+00
 E= -607.324695263302     Delta-E=       -0.000000000010 Rises=F Damp=F
 DIIS: error= 3.14D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -607.324695263302     IErMin=11 ErrMin= 3.14D-08
 ErrMax= 3.14D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-12 BMatP= 1.73D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.345D-05-0.822D-04-0.766D-04 0.673D-03 0.148D-02 0.459D-03
 Coeff-Com: -0.443D-02-0.447D-01-0.325D-01 0.170D+00 0.910D+00
 Coeff:      0.345D-05-0.822D-04-0.766D-04 0.673D-03 0.148D-02 0.459D-03
 Coeff:     -0.443D-02-0.447D-01-0.325D-01 0.170D+00 0.910D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=2.72D-08 MaxDP=1.07D-06 DE=-9.78D-12 OVMax= 6.09D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  9.85D-09    CP:  9.20D-01  1.12D+00  1.20D+00  1.14D+00  1.29D+00
                    CP:  1.19D+00  1.13D+00  1.22D+00  1.20D+00  1.18D+00
                    CP:  1.19D+00
 E= -607.324695263290     Delta-E=        0.000000000012 Rises=F Damp=F
 DIIS: error= 9.36D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -607.324695263302     IErMin=12 ErrMin= 9.36D-09
 ErrMax= 9.36D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.27D-14 BMatP= 1.19D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.122D-05-0.214D-04-0.232D-04 0.110D-03 0.329D-03 0.526D-03
 Coeff-Com:  0.368D-03-0.964D-02-0.244D-01-0.105D-01 0.200D+00 0.844D+00
 Coeff:      0.122D-05-0.214D-04-0.232D-04 0.110D-03 0.329D-03 0.526D-03
 Coeff:      0.368D-03-0.964D-02-0.244D-01-0.105D-01 0.200D+00 0.844D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=5.08D-09 MaxDP=1.98D-07 DE= 1.18D-11 OVMax= 1.62D-07

 SCF Done:  E(RwB97XD) =  -607.324695263     A.U. after   12 cycles
            NFock= 12  Conv=0.51D-08     -V/T= 2.0057
 KE= 6.038862621812D+02 PE=-2.609171883825D+03 EE= 8.065803494195D+02
 Leave Link  502 at Thu Jul  8 22:52:51 2021, MaxMem= 10737418240 cpu:            1705.0 elap:             106.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   284
 NBasis=   284 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    284 NOA=    39 NOB=    39 NVA=   245 NVB=   245

 **** Warning!!: The largest alpha MO coefficient is  0.65287457D+02

 Leave Link  801 at Thu Jul  8 22:52:52 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4965 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          16
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.59D-13 8.33D-09 XBig12= 1.00D+00 2.12D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.59D-13 8.33D-09 XBig12= 2.30D-01 6.84D-02.
     11 vectors produced by pass  2 Test12= 1.59D-13 8.33D-09 XBig12= 4.45D-02 5.27D-02.
     11 vectors produced by pass  3 Test12= 1.59D-13 8.33D-09 XBig12= 4.35D-03 1.52D-02.
     11 vectors produced by pass  4 Test12= 1.59D-13 8.33D-09 XBig12= 6.07D-04 5.66D-03.
     11 vectors produced by pass  5 Test12= 1.59D-13 8.33D-09 XBig12= 3.75D-05 1.13D-03.
     11 vectors produced by pass  6 Test12= 1.59D-13 8.33D-09 XBig12= 7.90D-07 1.39D-04.
     11 vectors produced by pass  7 Test12= 1.59D-13 8.33D-09 XBig12= 2.34D-08 2.41D-05.
     11 vectors produced by pass  8 Test12= 1.59D-13 8.33D-09 XBig12= 7.34D-10 3.68D-06.
     11 vectors produced by pass  9 Test12= 1.59D-13 8.33D-09 XBig12= 1.68D-11 5.02D-07.
      9 vectors produced by pass 10 Test12= 1.59D-13 8.33D-09 XBig12= 2.78D-13 6.51D-08.
      1 vectors produced by pass 11 Test12= 1.59D-13 8.33D-09 XBig12= 5.57D-15 1.45D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.68D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.733493D+02
      2 -0.582857D+01  0.775708D+02
      3 -0.251805D-03  0.212996D-03  0.624906D+02
 Isotropic polarizability for W=    0.088559       71.14 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.426270D-02  0.186877D-02 -0.411016D+02
      2   0.243967D-02 -0.655473D-03 -0.152526D+01
      3   0.182303D-02 -0.121330D-02  0.426268D+02
      4   0.212136D-03  0.141827D-02 -0.141424D+02
      5  -0.183541D+02 -0.416094D+01  0.442858D-03
      6  -0.960655D+00  0.167595D+01 -0.175421D-02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.859505D+01  0.564166D+01  0.121015D-03
      2  -0.264433D+02 -0.975475D+01 -0.713068D-03
      3   0.274726D-03 -0.442447D-04  0.156418D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.998143D+01  0.320122D+01  0.540914D-03
      2  -0.227475D+02 -0.131817D+02 -0.138017D-02
      3  -0.165663D-02  0.102140D-02  0.320028D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.159993D+01  0.275711D+01 -0.238400D-03
      2   0.275711D+01  0.178418D+01  0.144482D-03
      3  -0.238400D-03  0.144482D-03  0.220220D+00
 OR G Eigenvalues:    -3.1428     0.2202     3.3270  Iso=    -0.1348
 Eigenvectors:
   (1)   0.872657  -0.488334   0.000083
   (2)  -0.000074   0.000038   1.000000
   (3)   0.488334   0.872657   0.000003
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1348 au.
 Molar Mass =    150.0878 grams/mole, [Alpha] ( 5145.0 A) =      -45.55 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40470 ScalPx= 3.57D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40470 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 5.73D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.65D-14 2.78D-09 XBig12= 1.00D+00 4.07D-01.
     30 vectors produced by pass  1 Test12= 2.65D-14 2.78D-09 XBig12= 7.11D-02 5.23D-02.
     30 vectors produced by pass  2 Test12= 2.65D-14 2.78D-09 XBig12= 1.82D-03 7.46D-03.
     30 vectors produced by pass  3 Test12= 2.65D-14 2.78D-09 XBig12= 2.21D-05 1.02D-03.
     30 vectors produced by pass  4 Test12= 2.65D-14 2.78D-09 XBig12= 3.59D-07 9.52D-05.
     30 vectors produced by pass  5 Test12= 2.65D-14 2.78D-09 XBig12= 4.43D-09 1.14D-05.
     30 vectors produced by pass  6 Test12= 2.65D-14 2.78D-09 XBig12= 3.92D-11 7.66D-07.
     30 vectors produced by pass  7 Test12= 2.65D-14 2.78D-09 XBig12= 2.88D-13 5.95D-08.
      7 vectors produced by pass  8 Test12= 2.65D-14 2.78D-09 XBig12= 1.88D-15 5.65D-09.
      1 vectors produced by pass  9 Test12= 2.65D-14 2.78D-09 XBig12= 3.68D-16 3.07D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   248 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40470 ScalPx= 8.41D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40470 ScalPx= 8.41D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40470 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.40D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.733493D+02 -0.582857D+01 -0.251805D-03
      2  -0.582857D+01  0.775708D+02  0.212996D-03
      3  -0.251805D-03  0.212996D-03  0.624906D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.859505D+01  0.564166D+01  0.121015D-03
      2  -0.264433D+02 -0.975475D+01 -0.713068D-03
      3   0.274726D-03 -0.442447D-04  0.156418D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.426270D-02  0.186877D-02 -0.411016D+02
      2   0.243967D-02 -0.655473D-03 -0.152526D+01
      3   0.182303D-02 -0.121330D-02  0.426268D+02
      4   0.212136D-03  0.141827D-02 -0.141424D+02
      5  -0.183541D+02 -0.416094D+01  0.442858D-03
      6  -0.960655D+00  0.167595D+01 -0.175421D-02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.618513D-01 -0.121585D+01  0.244628D+00  0.110685D+01 -0.105864D+01
      2  -0.121585D+01 -0.841650D+00 -0.890146D+00 -0.105864D+01  0.520407D+01
      3   0.244628D+00 -0.890146D+00 -0.924329D+00 -0.573237D-01  0.108999D+01
                 6             7             8             9            10 
      1  -0.573237D-01  0.143162D+01 -0.159363D+01 -0.211669D+00  0.154938D+01
      2   0.108999D+01 -0.159363D+01  0.135768D+01 -0.696348D+00 -0.250656D+01
      3   0.415955D+00 -0.211669D+00 -0.696348D+00 -0.136589D+00 -0.564586D+00
                11            12            13            14            15 
      1  -0.250656D+01 -0.564586D+00 -0.430459D+01  0.299240D+00 -0.104201D+01
      2  -0.192625D+00 -0.306199D-01  0.299240D+00 -0.112640D+02 -0.196697D+01
      3  -0.306199D-01  0.792723D+00 -0.104201D+01 -0.196697D+01 -0.299463D+01
                16            17            18            19            20 
      1  -0.113072D+01  0.257502D+00 -0.176830D-01 -0.570779D+01  0.144175D+01
      2   0.257502D+00 -0.265383D+01 -0.287473D+01  0.144175D+01 -0.853147D+00
      3  -0.176830D-01 -0.287473D+01 -0.249573D+01 -0.187668D+01  0.412520D+00
                21            22            23            24            25 
      1  -0.187668D+01 -0.562805D+00 -0.104575D+01 -0.384687D+00 -0.301265D+01
      2   0.412520D+00 -0.104575D+01 -0.162435D+01 -0.204701D+01  0.751846D+00
      3  -0.115018D+01 -0.384687D+00 -0.204701D+01 -0.488037D+00 -0.285298D+01
                26            27            28            29            30 
      1   0.751846D+00 -0.285298D+01 -0.442174D+01  0.162596D+01 -0.267639D-01
      2  -0.222963D+01  0.897778D+00  0.162596D+01  0.123867D+01  0.728410D-01
      3   0.897778D+00 -0.345814D+01 -0.267639D-01  0.728410D-01  0.239203D+01
                31            32            33            34            35 
      1   0.249943D+01  0.203273D+01 -0.630001D+00 -0.508677D+00  0.184178D+00
      2   0.203273D+01 -0.273471D+01 -0.809132D+00  0.184178D+00 -0.464688D+00
      3  -0.630001D+00 -0.809132D+00  0.337686D+01  0.227161D+01  0.208477D+01
                36            37            38            39            40 
      1   0.227161D+01  0.442228D+01 -0.162556D+01 -0.276005D-01 -0.249883D+01
      2   0.208477D+01 -0.162556D+01 -0.123869D+01  0.726063D-01 -0.203267D+01
      3  -0.241656D+01 -0.276005D-01  0.726063D-01 -0.239165D+01 -0.630029D+00
                41            42            43            44            45 
      1  -0.203267D+01 -0.630029D+00 -0.509266D+00  0.183831D+00 -0.227102D+01
      2   0.273529D+01 -0.809612D+00  0.183831D+00 -0.465205D+00 -0.208436D+01
      3  -0.809612D+00 -0.337645D+01 -0.227102D+01 -0.208436D+01 -0.241706D+01
                46            47            48            49            50 
      1   0.609448D-01  0.121564D+01  0.244997D+00 -0.110755D+01  0.105806D+01
      2   0.121564D+01  0.840986D+00 -0.889879D+00  0.105806D+01 -0.520473D+01
      3   0.244997D+00 -0.889879D+00  0.923651D+00 -0.570476D-01  0.109022D+01
                51            52            53            54            55 
      1  -0.570476D-01  0.143180D+01 -0.159322D+01  0.211130D+00 -0.154873D+01
      2   0.109022D+01 -0.159322D+01  0.135739D+01  0.696150D+00  0.250656D+01
      3  -0.416123D+00  0.211130D+00  0.696150D+00 -0.136494D+00 -0.564614D+00
                56            57            58            59            60 
      1   0.250656D+01 -0.564614D+00  0.430487D+01 -0.298779D+00 -0.104211D+01
      2   0.193055D+00 -0.306753D-01 -0.298779D+00  0.112643D+02 -0.196693D+01
      3  -0.306753D-01 -0.792354D+00 -0.104211D+01 -0.196693D+01  0.299471D+01
                61            62            63            64            65 
      1  -0.113062D+01  0.257489D+00  0.179803D-01 -0.420547D+01  0.152130D+01
      2   0.257489D+00 -0.265336D+01  0.287463D+01  0.152130D+01 -0.212674D+01
      3   0.179803D-01  0.287463D+01 -0.249549D+01  0.175115D+01 -0.167308D+00
                66            67            68            69            70 
      1   0.175115D+01 -0.448579D+00 -0.231250D+01  0.986388D+00  0.281646D+01
      2  -0.167308D+00 -0.231250D+01  0.618972D+01  0.196923D+01 -0.237090D-01
      3  -0.183416D+01  0.986388D+00  0.196923D+01  0.567974D-01 -0.185317D+01
                71            72            73            74            75 
      1  -0.237090D-01 -0.185317D+01  0.420567D+01 -0.152107D+01  0.175104D+01
      2   0.204032D+01  0.159090D+01 -0.152107D+01  0.212770D+01 -0.167575D+00
      3   0.159090D+01  0.262288D+01  0.175104D+01 -0.167575D+00  0.183425D+01
                76            77            78            79            80 
      1   0.448778D+00  0.231295D+01  0.986223D+00  0.281564D+01 -0.237004D-01
      2   0.231295D+01 -0.618901D+01  0.196932D+01 -0.237004D-01  0.204034D+01
      3   0.986223D+00  0.196932D+01 -0.567808D-01  0.185282D+01 -0.159084D+01
                81            82            83            84            85 
      1   0.185282D+01  0.570745D+01 -0.144174D+01 -0.187676D+01  0.562644D+00
      2  -0.159084D+01 -0.144174D+01  0.853238D+00  0.412423D+00  0.104563D+01
      3   0.262240D+01 -0.187676D+01  0.412423D+00  0.115033D+01 -0.384628D+00
                86            87            88            89            90 
      1   0.104563D+01 -0.384628D+00 -0.301251D+01  0.751786D+00  0.285296D+01
      2   0.162451D+01 -0.204702D+01  0.751786D+00 -0.222963D+01 -0.897792D+00
      3  -0.204702D+01  0.487993D+00  0.285296D+01 -0.897792D+00 -0.345847D+01
                91            92            93            94            95 
      1  -0.139235D+01 -0.848039D+00  0.189768D+01 -0.143384D+01 -0.103198D+01
      2  -0.848039D+00 -0.856825D+00  0.295239D+00 -0.103198D+01 -0.108216D+01
      3   0.189768D+01  0.295239D+00 -0.241962D+01  0.607729D+00  0.155689D+01
                96            97            98            99           100 
      1   0.607729D+00  0.229539D+01  0.475517D+00 -0.234994D+01  0.139213D+01
      2   0.155689D+01  0.475517D+00  0.164300D+01 -0.144163D+01  0.848025D+00
      3  -0.235920D+01 -0.234994D+01 -0.144163D+01  0.657454D+01  0.189769D+01
               101           102           103           104           105 
      1   0.848025D+00  0.189769D+01  0.143375D+01  0.103198D+01  0.607716D+00
      2   0.856818D+00  0.295249D+00  0.103198D+01  0.108216D+01  0.155687D+01
      3   0.295249D+00  0.241946D+01  0.607716D+00  0.155687D+01  0.235913D+01
               106           107           108           109           110 
      1   0.229542D+01  0.475555D+00  0.234976D+01  0.950453D+00 -0.878832D+00
      2   0.475555D+00  0.164313D+01  0.144163D+01 -0.878832D+00  0.693980D+00
      3   0.234976D+01  0.144163D+01  0.657447D+01  0.331800D+00  0.112422D+00
               111           112           113           114           115 
      1   0.331800D+00 -0.270252D+01  0.125271D+01  0.103450D+01  0.116689D+01
      2   0.112422D+00  0.125271D+01 -0.448699D+01  0.425281D+00 -0.367231D-01
      3   0.104884D+00  0.103450D+01  0.425281D+00 -0.178087D+01 -0.287696D+00
               116           117           118           119           120 
      1  -0.367231D-01 -0.287696D+00 -0.950500D+00  0.878712D+00  0.331770D+00
      2   0.103366D+01 -0.837585D+00  0.878712D+00 -0.694163D+00  0.112220D+00
      3  -0.837585D+00  0.363614D+00  0.331770D+00  0.112220D+00 -0.105063D+00
               121           122           123           124           125 
      1   0.270266D+01 -0.125271D+01  0.103440D+01  0.116697D+01 -0.368375D-01
      2  -0.125271D+01  0.448663D+01  0.425284D+00 -0.368375D-01  0.103352D+01
      3   0.103440D+01  0.425284D+00  0.178067D+01  0.287545D+00  0.837419D+00
               126           127           128           129           130 
      1   0.287545D+00  0.369546D+01  0.356957D+00 -0.175699D+01  0.170496D+01
      2   0.837419D+00  0.356957D+00  0.103897D+01  0.195312D+00  0.339712D+00
      3   0.363472D+00 -0.175699D+01  0.195312D+00  0.148964D+01 -0.514603D+00
               131           132           133           134           135 
      1   0.339712D+00 -0.514603D+00 -0.305832D+01 -0.149335D-01  0.119661D+01
      2   0.257659D+01 -0.218253D+00 -0.149335D-01 -0.726434D+00  0.436959D+00
      3  -0.218253D+00  0.116502D+01  0.119661D+01  0.436959D+00 -0.105372D+01
               136           137           138           139           140 
      1  -0.369533D+01 -0.357249D+00 -0.175675D+01 -0.170521D+01 -0.339992D+00
      2  -0.357249D+00 -0.103957D+01  0.195371D+00 -0.339992D+00 -0.257737D+01
      3  -0.175675D+01  0.195371D+00 -0.148961D+01 -0.514526D+00 -0.218148D+00
               141           142           143           144 
      1  -0.514526D+00 -0.305743D+01 -0.149502D-01 -0.119626D+01
      2  -0.218148D+00 -0.149502D-01 -0.726251D+00 -0.436945D+00
      3  -0.116504D+01 -0.119626D+01 -0.436945D+00 -0.105312D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.191048D+01 -0.325154D+01 -0.256865D+01 -0.406042D+01 -0.487141D+01
      2   0.102991D+02  0.564248D+01  0.641518D+01  0.649486D+01 -0.693675D+00
      3   0.302696D+01 -0.506722D+01 -0.291761D+01 -0.516667D+01  0.432736D+01
                 6             7             8             9            10 
      1   0.243239D+01  0.724983D+00  0.408379D+01  0.376404D+01  0.209827D+01
      2   0.240977D+01 -0.485046D+01  0.251739D+00 -0.965651D+01 -0.767985D+00
      3   0.304042D+01 -0.775427D+01  0.531810D+01 -0.247862D+01 -0.623198D+01
                11            12            13            14            15 
      1   0.270756D+00  0.831136D+00 -0.198177D+01  0.441702D+01 -0.969434D+01
      2  -0.212921D+01  0.230987D+00 -0.167608D+01  0.346888D+01  0.302284D+01
      3  -0.770002D+00  0.441355D+00  0.135537D+02 -0.170160D+02 -0.881087D+00
                16            17            18            19            20 
      1  -0.172979D+01  0.194944D+01 -0.426188D+01 -0.145545D+00  0.226321D+01
      2  -0.389866D+01  0.516832D+01  0.582274D+01 -0.143269D+01 -0.125516D+01
      3   0.461677D+01 -0.397650D+01 -0.405267D+01  0.990419D+00 -0.674762D+01
                21            22            23            24            25 
      1   0.200048D+01  0.206753D+01  0.445235D+01  0.109217D+01 -0.690556D+00
      2   0.481845D+01 -0.108667D+01  0.451454D+01  0.469588D+00  0.307059D+01
      3   0.231635D+00 -0.155020D+01 -0.680518D+01 -0.677953D+01 -0.227144D+00
                26            27            28            29            30 
      1   0.638935D+01  0.124548D+01  0.184961D+01  0.156134D+01 -0.259069D+00
      2   0.986670D+00  0.108931D+02  0.965617D+01 -0.510874D+00  0.108654D+01
      3  -0.889847D+01  0.107950D+01  0.114312D+01 -0.168765D+01 -0.301140D+00
                31            32            33            34            35 
      1   0.319125D+01 -0.352785D+01 -0.132572D+01  0.533132D+00  0.338489D+01
      2  -0.534088D+01 -0.168264D+01  0.708244D+00 -0.594354D+01 -0.461222D+00
      3   0.361718D+01 -0.184555D+01 -0.170120D+01  0.519917D-01 -0.119619D+01
                36            37            38            39            40 
      1   0.224991D+01 -0.184902D+01 -0.156138D+01 -0.259249D+00 -0.319101D+01
      2   0.180630D+01 -0.965785D+01  0.509845D+00  0.108844D+01  0.533929D+01
      3   0.105825D+01  0.114241D+01 -0.168742D+01  0.301386D+00  0.361737D+01
                41            42            43            44            45 
      1   0.352923D+01 -0.132619D+01  0.532405D+00  0.338426D+01 -0.224925D+01
      2   0.168160D+01  0.709057D+00 -0.594165D+01 -0.459818D+00 -0.180851D+01
      3  -0.184675D+01  0.170180D+01 -0.512761D-01  0.119671D+01  0.105740D+01
                46            47            48            49            50 
      1   0.190945D+01  0.325114D+01 -0.256699D+01  0.405992D+01  0.487004D+01
      2  -0.102979D+02 -0.564075D+01  0.641414D+01 -0.649219D+01  0.694757D+00
      3   0.302665D+01 -0.506650D+01  0.291702D+01 -0.516716D+01  0.432780D+01
                51            52            53            54            55 
      1   0.243280D+01  0.724645D+00  0.408401D+01 -0.376316D+01 -0.209753D+01
      2   0.240777D+01 -0.485070D+01  0.251137D+00  0.965712D+01  0.768702D+00
      3  -0.304065D+01  0.775241D+01 -0.531733D+01 -0.247780D+01 -0.623024D+01
                56            57            58            59            60 
      1  -0.270916D+00  0.829743D+00  0.198134D+01 -0.441692D+01 -0.969406D+01
      2   0.212894D+01  0.231165D+00  0.167503D+01 -0.346879D+01  0.302355D+01
      3  -0.770994D+00 -0.441764D+00  0.135532D+02 -0.170153D+02  0.881162D+00
                61            62            63            64            65 
      1  -0.173016D+01  0.194958D+01  0.426149D+01 -0.423278D+01 -0.293519D+01
      2  -0.389879D+01  0.516779D+01 -0.582174D+01  0.354234D+00 -0.224236D+01
      3  -0.461642D+01  0.397613D+01 -0.405186D+01 -0.122052D+02 -0.593181D+01
                66            67            68            69            70 
      1   0.505486D+01 -0.613900D+01  0.565837D+01 -0.181357D+01  0.502127D+01
      2   0.387170D+01 -0.796493D+00  0.661526D+00 -0.222912D+01 -0.236967D+01
      3   0.607288D+01  0.500689D-01  0.411430D+01  0.581704D+01  0.936617D+01
                71            72            73            74            75 
      1   0.475932D+01 -0.413499D+01  0.423259D+01  0.293591D+01  0.505487D+01
      2  -0.155441D+01 -0.211686D+01 -0.355355D+00  0.224186D+01  0.387153D+01
      3   0.309126D+01 -0.290915D+01 -0.122059D+02 -0.593378D+01 -0.607176D+01
                76            77            78            79            80 
      1   0.613970D+01 -0.565802D+01 -0.181266D+01  0.502018D+01  0.476009D+01
      2   0.796524D+00 -0.662023D+00 -0.222897D+01 -0.236997D+01 -0.155414D+01
      3   0.477180D-01  0.411299D+01 -0.581712D+01 -0.936403D+01 -0.309114D+01
                81            82            83            84            85 
      1   0.413352D+01  0.145729D+00 -0.226320D+01  0.200006D+01 -0.206711D+01
      2   0.211641D+01  0.143285D+01  0.125468D+01  0.481818D+01  0.108628D+01
      3  -0.290822D+01  0.990111D+00 -0.674764D+01 -0.231420D+00 -0.154896D+01
                86            87            88            89            90 
      1  -0.445262D+01  0.109259D+01 -0.690230D+00  0.638970D+01 -0.124587D+01
      2  -0.451462D+01  0.469975D+00  0.306988D+01  0.986650D+00 -0.108931D+02
      3  -0.680497D+01  0.677921D+01  0.227286D+00  0.889813D+01  0.107942D+01
                91            92            93            94            95 
      1  -0.964186D+00 -0.133089D+01  0.107359D-01 -0.128391D+01 -0.136342D+01
      2   0.232509D+00  0.501207D+00  0.341268D-01  0.179028D+01  0.118835D-01
      3  -0.473684D+00 -0.175433D+01  0.261540D+00  0.256276D+00 -0.116716D+01
                96            97            98            99           100 
      1   0.112339D+01  0.207485D+00  0.348960D+01 -0.122890D+01  0.964111D+00
      2   0.687597D+00 -0.294131D+01  0.283292D+00 -0.221081D+01 -0.232102D+00
      3   0.172204D+01 -0.275230D+00  0.215680D+01 -0.673846D+00 -0.473493D+00
               101           102           103           104           105 
      1   0.133082D+01  0.106000D-01  0.128393D+01  0.136313D+01  0.112328D+01
      2  -0.501236D+00  0.339790D-01 -0.179019D+01 -0.119022D-01  0.687515D+00
      3  -0.175421D+01 -0.261457D+00  0.256442D+00 -0.116687D+01 -0.172198D+01
               106           107           108           109           110 
      1   0.207489D+00  0.348954D+01  0.122840D+01  0.144142D+01  0.873708D+00
      2  -0.294135D+01  0.283108D+00  0.221120D+01 -0.863450D-01 -0.719010D+00
      3   0.275382D+00 -0.215693D+01 -0.673601D+00  0.271380D+01 -0.707528D+00
               111           112           113           114           115 
      1  -0.456887D+00  0.622893D+00  0.723890D+01 -0.374031D+01 -0.816909D+00
      2   0.136387D+00  0.735924D+00  0.268422D+01 -0.456008D+01 -0.758862D+00
      3  -0.114824D+01  0.932023D+00  0.142827D+02 -0.387914D+01 -0.154825D+01
               116           117           118           119           120 
      1  -0.252376D+01  0.150708D+01 -0.144132D+01 -0.873581D+00 -0.456520D+00
      2  -0.303959D+01  0.276564D+01  0.865433D-01  0.719477D+00  0.136764D+00
      3  -0.552866D+01  0.331275D+01  0.271359D+01 -0.707901D+00  0.114764D+01
               121           122           123           124           125 
      1  -0.623072D+00 -0.723800D+01 -0.373985D+01 -0.816622D+00 -0.252319D+01
      2  -0.735882D+00 -0.268401D+01 -0.455974D+01 -0.758720D+00 -0.303919D+01
      3   0.932380D+00  0.142824D+02  0.387919D+01  0.154817D+01  0.552848D+01
               126           127           128           129           130 
      1  -0.150648D+01  0.708605D+01  0.218043D+01 -0.461236D+01  0.320016D+01
      2  -0.276529D+01 -0.156140D+01  0.495217D+00 -0.970267D+00 -0.457380D+00
      3   0.331217D+01  0.124938D+02  0.327295D+01 -0.691779D+01  0.664565D+01
               131           132           133           134           135 
      1   0.218961D+01 -0.369873D+01 -0.470658D+01 -0.213932D+01  0.388368D+01
      2   0.129012D+00 -0.509004D+00 -0.646284D+00 -0.177305D+00  0.174962D+01
      3   0.265138D+01 -0.285765D+01 -0.999606D+01 -0.259346D+01  0.466342D+01
               136           137           138           139           140 
      1  -0.708637D+01 -0.218061D+01 -0.461276D+01 -0.320030D+01 -0.219050D+01
      2   0.156142D+01 -0.494989D+00 -0.969709D+00  0.457573D+00 -0.128764D+00
      3   0.124948D+02  0.327327D+01  0.691762D+01  0.664652D+01  0.265317D+01
               141           142           143           144 
      1  -0.369878D+01 -0.470597D+01 -0.213893D+01 -0.388295D+01
      2  -0.508993D+00 -0.646029D+00 -0.177380D+00 -0.174922D+01
      3   0.285735D+01  0.999450D+01  0.259307D+01  0.466286D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.512093D+01 -0.470493D+00 -0.839590D+00  0.605107D+01  0.157501D+02
      2   0.255238D+01  0.122748D+01  0.403750D+01 -0.589164D+01 -0.239425D+02
      3   0.256855D+01 -0.756982D+00 -0.319791D+01 -0.159426D+00  0.819242D+01
      4   0.941684D+01  0.215401D+01  0.226236D+01 -0.895203D+01 -0.129529D+02
      5  -0.690586D+01  0.236087D+01  0.137554D+00 -0.233573D+01 -0.243574D+01
      6  -0.132631D+01 -0.271674D+01  0.791967D+01 -0.391230D+01 -0.815047D+01
                 6             7             8             9            10 
      1   0.445189D+01 -0.110221D+02  0.885929D+01  0.355891D+01 -0.508458D+00
      2  -0.249888D+01  0.795448D+01 -0.896070D+01 -0.244102D+01  0.496685D+01
      3  -0.195301D+01  0.306765D+01  0.101412D+00 -0.111790D+01 -0.445840D+01
      4  -0.512816D+01 -0.532687D+00 -0.759561D+01  0.199921D+01  0.581038D+01
      5   0.501876D+01  0.677865D+00  0.445601D+01 -0.642335D+01  0.109177D+01
      6  -0.124342D+02  0.854322D+00 -0.120523D+01 -0.388041D+01  0.380849D+01
                11            12            13            14            15 
      1   0.887056D+01  0.273862D+01  0.904721D+01 -0.284687D+02 -0.404752D+01
      2  -0.389969D+01 -0.181759D+01 -0.289143D+01  0.477676D+02  0.342141D+01
      3  -0.497087D+01 -0.921030D+00 -0.615578D+01 -0.192990D+02  0.626112D+00
      4   0.135369D+02  0.254910D+01  0.156474D+02  0.325507D+02  0.581882D+01
      5   0.266325D+01  0.466597D+01  0.661434D+01  0.109055D+01  0.540013D+01
      6   0.493315D+00 -0.236246D+01  0.175622D+01  0.164701D+02  0.172836D+02
                16            17            18            19            20 
      1   0.397092D+01 -0.101883D+02 -0.111972D+02  0.415374D+02 -0.552971D+01
      2  -0.272786D+01  0.729814D+01  0.298770D+01 -0.249898D+02  0.282756D+01
      3  -0.124306D+01  0.289017D+01  0.820953D+01 -0.165476D+02  0.270215D+01
      4   0.327473D+01  0.777754D+01  0.830585D+01 -0.846095D+01  0.881219D+01
      5   0.555125D+01  0.596302D+01  0.610436D+01  0.157533D+02 -0.315561D+01
      6  -0.396525D+00  0.153508D+02  0.119418D+02 -0.336746D+01  0.313638D+01
                21            22            23            24            25 
      1   0.794124D+01 -0.597355D+00  0.198901D+01  0.262289D+01  0.136167D+02
      2  -0.696568D+01  0.501922D+00 -0.181665D+01 -0.196513D+01 -0.118344D+02
      3  -0.975553D+00  0.954328D-01 -0.172360D+00 -0.657762D+00 -0.178222D+01
      4  -0.297992D+01  0.106894D+02  0.544736D+01  0.913971D+01 -0.501230D+01
      5   0.142536D+02  0.512940D+00  0.971950D+01 -0.492366D+00  0.176391D+02
      6  -0.469204D+01  0.315084D+01 -0.185467D+01  0.774781D+01 -0.319009D+01
                26            27            28            29            30 
      1  -0.792078D+00  0.466989D+01  0.554631D+00 -0.300276D+01 -0.463670D+01
      2   0.701445D+00 -0.149744D+02  0.178591D+01  0.413814D+01 -0.440768D+01
      3   0.906328D-01  0.103045D+02 -0.234054D+01 -0.113538D+01  0.904439D+01
      4   0.105388D+02 -0.368149D+01 -0.258682D+01 -0.166732D+01  0.189195D+01
      5  -0.519860D+01  0.196606D+02  0.865884D+00  0.116866D+01 -0.707470D+01
      6   0.685844D+01 -0.551183D+01  0.611817D+01  0.381959D+01 -0.160397D+01
                31            32            33            34            35 
      1   0.106726D+01  0.289853D+01 -0.339371D+01 -0.197007D+01 -0.362030D+01
      2   0.310132D+01 -0.506551D+01 -0.697037D+01 -0.378252D+01 -0.141438D+01
      3  -0.416858D+01  0.216698D+01  0.103641D+02  0.575259D+01  0.503468D+01
      4  -0.727295D+01  0.455331D+01  0.185094D+01  0.173890D+01  0.276159D+01
      5   0.252540D+01  0.519371D+01 -0.697081D+01 -0.530426D+01 -0.450410D+01
      6   0.213872D+01 -0.348471D+01 -0.820026D+01 -0.132044D+01  0.280420D-01
                36            37            38            39            40 
      1  -0.519641D+00  0.556174D+00 -0.300235D+01  0.463567D+01  0.106791D+01
      2   0.970817D+01  0.178558D+01  0.413843D+01  0.440768D+01  0.310045D+01
      3  -0.918853D+01 -0.234175D+01 -0.113609D+01 -0.904335D+01 -0.416835D+01
      4  -0.296621D+01 -0.258526D+01 -0.166709D+01 -0.189197D+01 -0.727284D+01
      5   0.140410D+02 -0.866710D+00 -0.116854D+01 -0.707358D+01 -0.252509D+01
      6   0.909298D+01 -0.611784D+01 -0.382012D+01 -0.160351D+01 -0.213930D+01
                41            42            43            44            45 
      1   0.289893D+01  0.339278D+01  0.196876D+01  0.361891D+01 -0.518504D+00
      2  -0.506513D+01  0.697001D+01  0.378233D+01  0.141527D+01  0.970716D+01
      3   0.216620D+01 -0.103628D+02 -0.575108D+01 -0.503418D+01 -0.918865D+01
      4   0.455527D+01 -0.185213D+01 -0.173923D+01 -0.276261D+01 -0.296517D+01
      5  -0.519531D+01 -0.696962D+01 -0.530182D+01 -0.450289D+01 -0.140422D+02
      6   0.348557D+01 -0.820141D+01 -0.132003D+01  0.280901D-01 -0.909311D+01
                46            47            48            49            50 
      1  -0.512174D+01 -0.469669D+00  0.839902D+00  0.605014D+01  0.157486D+02
      2   0.255280D+01  0.122584D+01 -0.403780D+01 -0.589169D+01 -0.239424D+02
      3   0.256895D+01 -0.756174D+00  0.319790D+01 -0.158449D+00  0.819383D+01
      4   0.941561D+01  0.215227D+01 -0.226149D+01 -0.895412D+01 -0.129550D+02
      5   0.690691D+01 -0.236031D+01  0.136507D+00  0.233640D+01  0.243600D+01
      6   0.132658D+01  0.271763D+01  0.791806D+01  0.391192D+01  0.815071D+01
                51            52            53            54            55 
      1  -0.445080D+01  0.110216D+02 -0.885727D+01  0.355778D+01 -0.505986D+00
      2   0.249923D+01 -0.795333D+01  0.895921D+01 -0.244084D+01  0.496581D+01
      3   0.195157D+01 -0.306829D+01 -0.101941D+00 -0.111695D+01 -0.445982D+01
      4   0.512800D+01  0.532923D+00  0.759501D+01  0.199866D+01  0.581195D+01
      5   0.501769D+01  0.676456D+00  0.445535D+01  0.642374D+01 -0.109235D+01
      6  -0.124335D+02  0.853711D+00 -0.120546D+01  0.387947D+01 -0.380873D+01
                56            57            58            59            60 
      1   0.887009D+01 -0.273809D+01  0.904666D+01 -0.284673D+02  0.404665D+01
      2  -0.389864D+01  0.181753D+01 -0.289010D+01  0.477679D+02 -0.342120D+01
      3  -0.497145D+01  0.920552D+00 -0.615656D+01 -0.193006D+02 -0.625456D+00
      4   0.135389D+02 -0.254907D+01  0.156488D+02  0.325526D+02 -0.581832D+01
      5  -0.266310D+01  0.466639D+01 -0.661483D+01 -0.109024D+01  0.540103D+01
      6  -0.494211D+00 -0.236083D+01 -0.175603D+01 -0.164702D+02  0.172826D+02
                61            62            63            64            65 
      1  -0.397018D+01  0.101869D+02 -0.111958D+02  0.717193D+01  0.131244D+01
      2   0.272758D+01 -0.729655D+01  0.298799D+01 -0.383773D+01 -0.536317D+01
      3   0.124260D+01 -0.289039D+01  0.820783D+01 -0.333420D+01  0.405072D+01
      4  -0.327450D+01 -0.777628D+01  0.830613D+01 -0.113142D+02  0.108498D+02
      5   0.555160D+01  0.596318D+01 -0.610372D+01 -0.289180D+01  0.212295D+01
      6  -0.395207D+00  0.153505D+02 -0.119411D+02  0.855934D+01 -0.464719D+01
                66            67            68            69            70 
      1   0.178009D+01 -0.807994D+00 -0.123235D+02 -0.404707D+01  0.714915D+00
      2   0.130664D+01 -0.462945D+01  0.211551D+02  0.581281D+01  0.117325D+01
      3  -0.308672D+01  0.543745D+01 -0.883156D+01 -0.176574D+01 -0.188816D+01
      4   0.425267D+01  0.101937D+02 -0.148248D+02 -0.257656D+01  0.665683D+01
      5   0.878094D+01  0.127564D+01 -0.836756D+01 -0.193494D+01  0.710478D+01
      6  -0.510165D+01 -0.180407D+01  0.137535D+02  0.119173D+02 -0.554159D+01
                71            72            73            74            75 
      1  -0.599833D+01 -0.575208D+01  0.717352D+01  0.131454D+01 -0.178004D+01
      2   0.444673D+01 -0.308162D+01 -0.383983D+01 -0.536653D+01 -0.130635D+01
      3   0.155161D+01  0.883370D+01 -0.333369D+01  0.405199D+01  0.308639D+01
      4  -0.482104D+01 -0.593691D+01 -0.113147D+02  0.108499D+02 -0.425303D+01
      5  -0.423012D+01 -0.531136D+01  0.289281D+01 -0.212382D+01  0.878182D+01
      6   0.932123D+01  0.100381D+02 -0.855883D+01  0.464814D+01 -0.510182D+01
                76            77            78            79            80 
      1  -0.806709D+00 -0.123208D+02  0.404705D+01 -0.714594D+00  0.599866D+01
      2  -0.463081D+01  0.211507D+02 -0.581270D+01 -0.117345D+01 -0.444732D+01
      3   0.543751D+01 -0.882992D+01  0.176566D+01  0.188804D+01 -0.155134D+01
      4   0.101936D+02 -0.148260D+02  0.257706D+01 -0.665599D+01  0.482006D+01
      5  -0.127598D+01  0.836862D+01 -0.193529D+01  0.710522D+01 -0.423007D+01
      6   0.180484D+01 -0.137535D+02  0.119176D+02 -0.554048D+01  0.932071D+01
                81            82            83            84            85 
      1  -0.575119D+01  0.415342D+02 -0.552991D+01 -0.794147D+01 -0.597838D+00
      2  -0.308254D+01 -0.249886D+02  0.282790D+01  0.696595D+01  0.502227D+00
      3   0.883373D+01 -0.165457D+02  0.270200D+01  0.975520D+00  0.956102D-01
      4  -0.593627D+01 -0.846110D+01  0.881204D+01  0.297950D+01  0.106888D+02
      5   0.531095D+01 -0.157538D+02  0.315532D+01  0.142536D+02 -0.512882D+00
      6  -0.100371D+02  0.336715D+01 -0.313639D+01 -0.469171D+01 -0.315015D+01
                86            87            88            89            90 
      1   0.198860D+01 -0.262306D+01 -0.136157D+02  0.791611D+00  0.466906D+01
      2  -0.181704D+01  0.196506D+01  0.118338D+02 -0.701280D+00 -0.149746D+02
      3  -0.171553D+00  0.658002D+00  0.178193D+01 -0.903309D-01  0.103056D+02
      4   0.544774D+01 -0.913920D+01  0.501229D+01 -0.105387D+02 -0.368159D+01
      5  -0.971899D+01 -0.492482D+00  0.176389D+02 -0.519852D+01 -0.196613D+02
      6   0.185453D+01  0.774731D+01 -0.319008D+01  0.685881D+01  0.551231D+01
                91            92            93            94            95 
      1   0.306008D+01  0.138557D+01 -0.301060D+00  0.568320D+00 -0.229163D+01
      2  -0.712118D+01 -0.190075D+01  0.712908D+01 -0.171529D+01 -0.169496D+01
      3   0.406110D+01  0.515181D+00 -0.682802D+01  0.114697D+01  0.398660D+01
      4   0.282614D+01  0.338803D+01 -0.184156D+01  0.434281D+01  0.338983D+01
      5  -0.945410D+01 -0.252152D+01  0.131330D+02 -0.368538D+01 -0.543757D+01
      6  -0.333280D+01 -0.252836D+01  0.281858D+01 -0.310184D+01 -0.539671D+01
                96            97            98            99           100 
      1   0.393161D+01 -0.118401D+00  0.251937D+01 -0.100665D+02  0.305979D+01
      2   0.391847D+01  0.690351D+01  0.287407D+01 -0.171092D+02 -0.712083D+01
      3  -0.785009D+01 -0.678511D+01 -0.539344D+01  0.271757D+02  0.406104D+01
      4  -0.401132D+01 -0.202219D+01 -0.375785D+01  0.344408D+01  0.282612D+01
      5   0.746394D+01  0.120481D+02  0.445214D+01 -0.209630D+02  0.945381D+01
      6   0.921091D+01  0.270861D+01  0.635972D+01 -0.900842D+01  0.333315D+01
               101           102           103           104           105 
      1   0.138556D+01  0.301306D+00  0.568247D+00 -0.229165D+01 -0.393140D+01
      2  -0.190073D+01 -0.712858D+01 -0.171504D+01 -0.169483D+01 -0.391815D+01
      3   0.515171D+00  0.682728D+01  0.114679D+01  0.398648D+01  0.784955D+01
      4   0.338809D+01  0.184172D+01  0.434281D+01  0.338991D+01  0.401142D+01
      5   0.252160D+01  0.131324D+02  0.368521D+01  0.543762D+01  0.746378D+01
      6   0.252837D+01  0.281863D+01  0.310186D+01  0.539683D+01  0.921090D+01
               106           107           108           109           110 
      1   0.118778D+00 -0.251937D+01 -0.100663D+02  0.405891D+01 -0.408019D+01
      2  -0.690318D+01 -0.287413D+01 -0.171083D+02 -0.675804D+00  0.673676D+00
      3   0.678440D+01  0.539350D+01  0.271746D+02 -0.338310D+01  0.340651D+01
      4   0.202237D+01  0.375814D+01  0.344427D+01 -0.504916D+01  0.435671D+01
      5   0.120475D+02  0.445234D+01  0.209629D+02  0.175748D+01  0.556193D+00
      6   0.270876D+01  0.635985D+01  0.900921D+01  0.585359D-01 -0.556445D-01
               111           112           113           114           115 
      1   0.884508D+00 -0.110758D+02  0.275842D+01  0.270308D+01  0.643689D+01
      2  -0.103814D+01  0.464483D+01  0.411180D+01 -0.361658D+01 -0.329854D+01
      3   0.153628D+00  0.643099D+01 -0.687022D+01  0.913497D+00 -0.313835D+01
      4  -0.501405D+00  0.805941D+01 -0.203484D+02  0.919941D+00 -0.877343D+00
      5   0.350786D+00  0.496148D+01  0.193515D+01 -0.705709D+01 -0.758200D+00
      6  -0.216403D+00 -0.244774D+01  0.484811D+01  0.186262D+01  0.329130D+00
               116           117           118           119           120 
      1  -0.121506D+01 -0.141852D+01  0.405915D+01 -0.407957D+01 -0.884272D+00
      2  -0.240078D+00  0.207185D+01 -0.676040D+00  0.672960D+00  0.103777D+01
      3   0.145514D+01 -0.653331D+00 -0.338310D+01  0.340661D+01 -0.153499D+00
      4   0.467131D+01 -0.293544D+01 -0.504886D+01  0.435713D+01  0.502004D+00
      5  -0.340102D+01  0.281621D+01 -0.175744D+01 -0.555317D+00  0.351416D+00
      6   0.690015D+00  0.498408D+00 -0.585328D-01  0.552708D-01 -0.216679D+00
               121           122           123           124           125 
      1  -0.110765D+02  0.275904D+01 -0.270268D+01 -0.643717D+01  0.121568D+01
      2   0.464515D+01  0.411087D+01  0.361619D+01  0.329858D+01  0.239344D+00
      3   0.643138D+01 -0.686990D+01 -0.913519D+00  0.313859D+01 -0.145502D+01
      4   0.805954D+01 -0.203477D+02 -0.920331D+00  0.877892D+00 -0.467117D+01
      5  -0.496092D+01 -0.193541D+01 -0.705665D+01 -0.757396D+00 -0.340057D+01
      6   0.244727D+01 -0.484758D+01  0.186200D+01  0.328814D+00  0.689759D+00
               126           127           128           129           130 
      1  -0.141777D+01 -0.185465D+01 -0.237194D+01 -0.296306D+01 -0.230870D+01
      2   0.207102D+01  0.286994D+01  0.424035D+01 -0.622548D+00  0.299305D+01
      3  -0.653244D+00 -0.101529D+01 -0.186841D+01  0.358561D+01 -0.684356D+00
      4  -0.293521D+01  0.644290D+01 -0.264636D+01 -0.236754D+01  0.396722D+01
      5  -0.281587D+01  0.165191D+01  0.124615D+01 -0.300293D+01  0.168339D+01
      6  -0.498663D+00 -0.461859D+01  0.409452D+01  0.323786D+01 -0.119575D+01
               131           132           133           134           135 
      1  -0.616969D+01 -0.924227D-01  0.131842D+01  0.162359D+01 -0.105923D+00
      2   0.111995D+02 -0.214953D+01 -0.129050D+01 -0.356822D+01  0.200922D+01
      3  -0.502983D+01  0.224195D+01 -0.279242D-01  0.194463D+01 -0.190330D+01
      4  -0.730325D+00 -0.612453D+00 -0.507553D+01  0.357189D+01  0.177036D+01
      5   0.741787D+00 -0.142794D+01 -0.285204D+00 -0.452349D+00  0.233942D+01
      6   0.147303D+01  0.385868D+01  0.364159D+01  0.138248D+01 -0.261415D+01
               136           137           138           139           140 
      1  -0.185491D+01 -0.237361D+01  0.296261D+01 -0.231015D+01 -0.617184D+01
      2   0.287098D+01  0.424289D+01  0.622394D+00  0.299506D+01  0.112033D+02
      3  -0.101607D+01 -0.186928D+01 -0.358501D+01 -0.684913D+00 -0.503147D+01
      4   0.644262D+01 -0.264445D+01  0.236690D+01  0.396770D+01 -0.730120D+00
      5  -0.165205D+01 -0.124657D+01 -0.300214D+01 -0.168397D+01 -0.742125D+00
      6   0.461766D+01 -0.409455D+01  0.323826D+01  0.119526D+01 -0.147439D+01
               141           142           143           144 
      1   0.925840D-01 -0.131850D+01 -0.162347D+01 -0.106552D+00
      2   0.214962D+01  0.129044D+01  0.356831D+01  0.200905D+01
      3  -0.224220D+01  0.280632D-01 -0.194485D+01 -0.190250D+01
      4   0.612336D+00  0.507383D+01 -0.357110D+01  0.176973D+01
      5  -0.142816D+01 -0.284633D+00 -0.452384D+00 -0.233863D+01
      6   0.385860D+01  0.364094D+01  0.138313D+01  0.261275D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 23:10:55 2021, MaxMem= 10737418240 cpu:           17312.5 elap:            1083.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.34892 -19.34892 -19.31825 -19.31825 -19.29720
 Alpha  occ. eigenvalues --  -19.29719 -10.46674 -10.46673 -10.40777 -10.40759
 Alpha  occ. eigenvalues --   -1.25601  -1.25003  -1.18375  -1.18137  -1.16622
 Alpha  occ. eigenvalues --   -1.15497  -0.90462  -0.82390  -0.74177  -0.74044
 Alpha  occ. eigenvalues --   -0.69965  -0.66425  -0.66330  -0.60488  -0.60217
 Alpha  occ. eigenvalues --   -0.58551  -0.57631  -0.55275  -0.54014  -0.53834
 Alpha  occ. eigenvalues --   -0.50352  -0.49767  -0.46452  -0.46143  -0.44737
 Alpha  occ. eigenvalues --   -0.44051  -0.43903  -0.38346  -0.37952
 Alpha virt. eigenvalues --    0.02267   0.04184   0.04327   0.04607   0.04954
 Alpha virt. eigenvalues --    0.05460   0.07435   0.07578   0.08790   0.10178
 Alpha virt. eigenvalues --    0.10836   0.11496   0.12365   0.12660   0.13577
 Alpha virt. eigenvalues --    0.13961   0.14439   0.14628   0.15095   0.15147
 Alpha virt. eigenvalues --    0.17118   0.17508   0.18011   0.20055   0.21137
 Alpha virt. eigenvalues --    0.21923   0.22280   0.22872   0.24311   0.24603
 Alpha virt. eigenvalues --    0.25092   0.25617   0.26449   0.26642   0.27228
 Alpha virt. eigenvalues --    0.27758   0.28517   0.29161   0.29377   0.30006
 Alpha virt. eigenvalues --    0.30448   0.31083   0.31148   0.31601   0.32744
 Alpha virt. eigenvalues --    0.33244   0.33759   0.33999   0.34702   0.34807
 Alpha virt. eigenvalues --    0.35561   0.36561   0.36973   0.38474   0.39245
 Alpha virt. eigenvalues --    0.40525   0.41264   0.43059   0.43848   0.44132
 Alpha virt. eigenvalues --    0.44385   0.45388   0.47370   0.47548   0.49394
 Alpha virt. eigenvalues --    0.49862   0.50081   0.52101   0.52978   0.53357
 Alpha virt. eigenvalues --    0.54545   0.55205   0.57035   0.57517   0.59440
 Alpha virt. eigenvalues --    0.60233   0.61063   0.61369   0.63681   0.64313
 Alpha virt. eigenvalues --    0.65560   0.66264   0.66526   0.66637   0.68332
 Alpha virt. eigenvalues --    0.68850   0.69855   0.71461   0.71484   0.73127
 Alpha virt. eigenvalues --    0.73802   0.75826   0.76303   0.77312   0.78348
 Alpha virt. eigenvalues --    0.80070   0.80830   0.82474   0.84637   0.85244
 Alpha virt. eigenvalues --    0.86282   0.86579   0.88858   0.89979   0.91470
 Alpha virt. eigenvalues --    0.92198   0.93767   0.95891   0.96718   0.98438
 Alpha virt. eigenvalues --    1.00967   1.01961   1.03205   1.06284   1.06695
 Alpha virt. eigenvalues --    1.09184   1.09216   1.09685   1.11203   1.12886
 Alpha virt. eigenvalues --    1.13249   1.14244   1.16042   1.16120   1.19313
 Alpha virt. eigenvalues --    1.21289   1.22311   1.23444   1.23732   1.25349
 Alpha virt. eigenvalues --    1.26453   1.27974   1.29098   1.30258   1.30425
 Alpha virt. eigenvalues --    1.33113   1.34649   1.35651   1.37805   1.38841
 Alpha virt. eigenvalues --    1.41436   1.41902   1.45905   1.47360   1.49581
 Alpha virt. eigenvalues --    1.49877   1.50173   1.54518   1.55262   1.56008
 Alpha virt. eigenvalues --    1.56414   1.59090   1.60687   1.62865   1.63959
 Alpha virt. eigenvalues --    1.66896   1.67539   1.72125   1.73849   1.75780
 Alpha virt. eigenvalues --    1.77793   1.78483   1.81002   1.84381   1.84661
 Alpha virt. eigenvalues --    1.85223   1.87933   1.88761   1.91055   1.92810
 Alpha virt. eigenvalues --    1.94865   1.95249   1.98303   1.99958   2.00578
 Alpha virt. eigenvalues --    2.05074   2.05178   2.08640   2.12296   2.13308
 Alpha virt. eigenvalues --    2.16373   2.17283   2.19605   2.22355   2.24540
 Alpha virt. eigenvalues --    2.26763   2.27653   2.28760   2.32553   2.33637
 Alpha virt. eigenvalues --    2.37929   2.39197   2.41629   2.42287   2.48113
 Alpha virt. eigenvalues --    2.48996   2.54496   2.57744   2.60225   2.60263
 Alpha virt. eigenvalues --    2.66019   2.72698   2.74070   2.79429   2.82851
 Alpha virt. eigenvalues --    2.85647   2.85991   2.97426   3.04878   3.10360
 Alpha virt. eigenvalues --    3.23081   3.28142   3.31076   3.34873   3.35082
 Alpha virt. eigenvalues --    3.40493   3.41393   3.42175   3.43619   3.43884
 Alpha virt. eigenvalues --    3.46536   3.48920   3.49342   3.49872   3.51855
 Alpha virt. eigenvalues --    3.52422   3.53176   3.53917   3.57804   3.58300
 Alpha virt. eigenvalues --    3.61873   3.64692   3.68378   3.68497   3.72844
 Alpha virt. eigenvalues --    3.74721   3.78730   3.78884   3.87311   3.88859
 Alpha virt. eigenvalues --    3.89586   4.03133   4.05596   4.09874   4.09918
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.655212   0.328975  -0.105468  -0.293646  -0.200679  -0.039198
     2  O    0.328975   8.294340  -0.124782  -0.003669   0.031314  -0.000469
     3  O   -0.105468  -0.124782   8.328029   0.085672   0.014570   0.010722
     4  C   -0.293646  -0.003669   0.085672   5.664816   0.056550  -0.200709
     5  C   -0.200679   0.031314   0.014570   0.056550   5.664736  -0.293655
     6  C   -0.039198  -0.000469   0.010722  -0.200709  -0.293655   5.655258
     7  O   -0.000472  -0.000338   0.002783   0.031339  -0.003671   0.328950
     8  O    0.048698  -0.015174  -0.051599  -0.095708   0.024938  -0.000016
     9  O   -0.000016  -0.047874  -0.005522   0.024912  -0.095691   0.048704
    10  O    0.010718   0.002785  -0.001569   0.014587   0.085642  -0.105483
    11  H   -0.138748   0.007503   0.014314  -0.116607   0.221356   0.008961
    12  H    0.008952   0.004687   0.002492   0.221410  -0.116609  -0.138773
    13  H   -0.005111  -0.001254   0.000852  -0.009810  -0.022450  -0.071734
    14  H   -0.071723   0.022262   0.281694  -0.022469  -0.009814  -0.005109
    15  H   -0.030753   0.002569  -0.001819   0.005527  -0.007370  -0.031785
    16  H   -0.031772   0.061622   0.006128  -0.007357   0.005545  -0.030745
               7          8          9         10         11         12
     1  C   -0.000472   0.048698  -0.000016   0.010718  -0.138748   0.008952
     2  O   -0.000338  -0.015174  -0.047874   0.002785   0.007503   0.004687
     3  O    0.002783  -0.051599  -0.005522  -0.001569   0.014314   0.002492
     4  C    0.031339  -0.095708   0.024912   0.014587  -0.116607   0.221410
     5  C   -0.003671   0.024938  -0.095691   0.085642   0.221356  -0.116609
     6  C    0.328950  -0.000016   0.048704  -0.105483   0.008961  -0.138773
     7  O    8.294397  -0.047889  -0.015173  -0.124786   0.004685   0.007503
     8  O   -0.047889   8.493386   0.002388  -0.005523  -0.109023   0.009039
     9  O   -0.015173   0.002388   8.493347  -0.051598   0.009039  -0.109000
    10  O   -0.124786  -0.005523  -0.051598   8.328060   0.002493   0.014319
    11  H    0.004685  -0.109023   0.009039   0.002493   1.441393  -0.115309
    12  H    0.007503   0.009039  -0.109000   0.014319  -0.115309   1.441347
    13  H    0.022263  -0.001097   0.034318   0.281696   0.000688   0.003414
    14  H   -0.001255   0.034317  -0.001097   0.000852   0.003415   0.000687
    15  H    0.061632   0.276723   0.000400   0.006132   0.013295  -0.003953
    16  H    0.002566   0.000400   0.276754  -0.001823  -0.003947   0.013282
              13         14         15         16
     1  C   -0.005111  -0.071723  -0.030753  -0.031772
     2  O   -0.001254   0.022262   0.002569   0.061622
     3  O    0.000852   0.281694  -0.001819   0.006128
     4  C   -0.009810  -0.022469   0.005527  -0.007357
     5  C   -0.022450  -0.009814  -0.007370   0.005545
     6  C   -0.071734  -0.005109  -0.031785  -0.030745
     7  O    0.022263  -0.001255   0.061632   0.002566
     8  O   -0.001097   0.034317   0.276723   0.000400
     9  O    0.034318  -0.001097   0.000400   0.276754
    10  O    0.281696   0.000852   0.006132  -0.001823
    11  H    0.000688   0.003415   0.013295  -0.003947
    12  H    0.003414   0.000687  -0.003953   0.013282
    13  H    0.587808  -0.000447  -0.000262   0.007311
    14  H   -0.000447   0.587814   0.007319  -0.000262
    15  H   -0.000262   0.007319   0.560276  -0.000218
    16  H    0.007311  -0.000262  -0.000218   0.560227
 Mulliken charges:
               1
     1  C    0.865033
     2  O   -0.562497
     3  O   -0.456497
     4  C    0.645164
     5  C    0.645287
     6  C    0.865081
     7  O   -0.562533
     8  O   -0.563859
     9  O   -0.563890
    10  O   -0.456503
    11  H   -0.243509
    12  H   -0.243490
    13  H    0.173818
    14  H    0.173816
    15  H    0.142289
    16  H    0.142288
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.865033
     2  O   -0.562497
     3  O   -0.282680
     4  C    0.401655
     5  C    0.401797
     6  C    0.865081
     7  O   -0.562533
     8  O   -0.421569
     9  O   -0.421601
    10  O   -0.282685
 Electronic spatial extent (au):  <R**2>=           1291.0245
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0000    Y=             -0.0003    Z=              2.4585  Tot=              2.4585
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -58.7394   YY=            -61.9482   ZZ=            -60.1076
   XY=             -5.6889   XZ=             -0.0004   YZ=             -0.0005
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.5256   YY=             -1.6831   ZZ=              0.1575
   XY=             -5.6889   XZ=             -0.0004   YZ=             -0.0005
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0006  YYY=             -0.0034  ZZZ=              3.1089  XYY=             -0.0000
  XXY=              0.0002  XXZ=             10.8217  XZZ=             -0.0003  YZZ=              0.0002
  YYZ=             -4.0628  XYZ=             14.5779
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -806.5045 YYYY=           -451.3232 ZZZZ=           -264.4001 XXXY=            -39.9722
 XXXZ=             -0.0027 YYYX=            -29.3846 YYYZ=             -0.0039 ZZZX=             -0.0005
 ZZZY=              0.0009 XXYY=           -208.5928 XXZZ=           -192.8490 YYZZ=           -136.7293
 XXYZ=              0.0016 YYXZ=             -0.0010 ZZXY=              2.9756
 N-N= 5.913805769614D+02 E-N=-2.609171884424D+03  KE= 6.038862621812D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 23:10:56 2021, MaxMem= 10737418240 cpu:               6.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.19188643D-05-1.01865537D-04 9.35564656D-01
 Polarizability= 6.82333002D+01-5.89844644D+00 7.18317221D+01
                -2.96794281D-04 1.99158540D-04 5.71173438D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0001    0.0001       -2.9152   -2.9143
 2     -0.0001   -0.0001       -0.0001   -0.0001        2.1129    2.1107
 3      2.9152    2.9143        5.4279    5.4294        0.0001    0.0001
 4      0.0001    0.0001       -0.0000    0.0000        2.9157    2.9143
 5     -7.5408   -7.5401       -2.9157   -2.9143        0.0001    0.0001
 6     -0.0001   -0.0001       -0.0001   -0.0001        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0004   -0.0004       -8.7429   -8.7429
 2      0.0003    0.0003        0.0000    0.0000       -8.7429   -8.7429
 3      0.0003    0.0003       -0.0004   -0.0004        0.0000    0.0000
 4     -0.0004   -0.0004       -0.0003   -0.0003        6.3322    6.3322
 5      8.7429    8.7429       16.2881   16.2881        0.0003    0.0003
 6    -22.6203  -22.6203       -8.7429   -8.7429        0.0004    0.0004
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0005    0.0000       -0.0006   -0.0005       11.1149   11.6571
 2     -0.0000    0.0005        0.0004    0.0004       -8.5790   -8.4430
 3    -11.2839  -11.6571      -21.6183  -21.7174        0.0006   -0.0004
 4     -0.0008   -0.0004       -0.0000    0.0000      -11.7291  -11.6571
 5     30.1280   30.1604       11.4589   11.6571        0.0001   -0.0005
 6     -0.0000    0.0004        0.0005    0.0005       -0.1326    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0007    0.0004       20.3659   20.8016
 2      0.0004   -0.0004       -0.0008   -0.0008       37.1779   36.6996
 3    -20.7872  -20.8016      -14.0073  -14.0617        0.0008    0.0008
 4      0.0014    0.0008        0.0001    0.0000      -20.8119  -20.8016
 5    -22.1261  -22.6378       21.1127   20.8016        0.0003    0.0004
 6     -0.0015   -0.0008       -0.0009   -0.0004        0.4585    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0009    0.0006       -0.0023   -0.0020      -19.0354  -20.0300
 2      0.0019    0.0010       -0.0030   -0.0031      -19.8292  -20.0300
 3      0.0023    0.0010       -0.0017   -0.0020      -38.7663  -39.5763
 4      0.0021    0.0011       -0.0000   -0.0004       46.5497   46.3263
 5    -19.0334  -19.5463      -13.2538  -13.5623       -0.0007    0.0004
 6    -32.3014  -32.7640       20.3336   19.5463       -0.0005   -0.0011
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.5824   -4.8554   -2.4419    0.0002    0.0005    0.0006
 Low frequencies ---   60.1483   80.2874   98.5271
 Diagonal vibrational polarizability:
       56.9005948      18.0374059      31.6821870
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     60.1483                80.2874                98.5269
 Red. masses --      9.4010                11.0952                10.0636
 Frc consts  --      0.0200                 0.0421                 0.0576
 IR Inten    --      1.4532                 0.3799                 4.5348
 RamAct Fr= 1--      1.2413                 0.8761                 0.5200
  Dep-P Fr= 1--      0.7488                 0.7083                 0.7500
  Dep-U Fr= 1--      0.8564                 0.8292                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0000
 Beta2  Fr= 1--      0.1772                 0.1211                 0.0743
 AlphaG Fr= 1--      0.0011                 0.0008                -0.0000
 Gamma2 Fr= 1--     -0.2202                -0.0574                 0.0436
 Delta2 Fr= 1--     -0.0212                -0.0139                 0.0339
 Raman1 Fr= 1--       4.965                  3.504                  2.080
 ROA1   Fr= 1--     -21.823                 -5.954                  5.268
 CID1   Fr= 1--      -4.395                 -1.699                  2.532
 Raman2 Fr= 1--       2.126                  1.453                  0.892
 ROA2   Fr= 1--      -5.116                 -1.266                  0.775
 CID2   Fr= 1--      -2.407                 -0.871                  0.869
 Raman3 Fr= 1--       4.252                  2.906                  1.783
 ROA3   Fr= 1--     -21.823                 -5.954                  5.268
 CID3   Fr= 1--      -5.133                 -2.049                  2.954
 RC180  Fr= 1--       0.713                  0.658                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.04    -0.17  -0.07   0.05     0.04  -0.01  -0.05
     2   8    -0.19  -0.20   0.30    -0.23  -0.09   0.09     0.28   0.09  -0.22
     3   8     0.22  -0.02  -0.22    -0.32  -0.13   0.20    -0.26  -0.18   0.19
     4   6    -0.01  -0.00  -0.00     0.01   0.03  -0.11     0.00   0.05  -0.05
     5   6     0.01   0.00  -0.00    -0.01  -0.03  -0.11     0.00   0.05   0.05
     6   6     0.01   0.08   0.04     0.17   0.07   0.05     0.04  -0.01   0.05
     7   8     0.19   0.20   0.30     0.23   0.09   0.09     0.28   0.09   0.22
     8   8    -0.02  -0.01  -0.09     0.05   0.04  -0.24    -0.03   0.05  -0.14
     9   8     0.02   0.01  -0.09    -0.05  -0.04  -0.24    -0.03   0.05   0.14
    10   8    -0.22   0.02  -0.22     0.32   0.13   0.20    -0.26  -0.18  -0.19
    11   1     0.01   0.04   0.02     0.04   0.15  -0.03    -0.04   0.10  -0.05
    12   1    -0.01  -0.04   0.02    -0.04  -0.15  -0.03    -0.04   0.10   0.05
    13   1    -0.30  -0.03  -0.33     0.21   0.09   0.10    -0.33  -0.18  -0.19
    14   1     0.30   0.03  -0.33    -0.21  -0.09   0.10    -0.33  -0.18   0.19
    15   1     0.12   0.01   0.08     0.10  -0.02  -0.23     0.02   0.06  -0.07
    16   1    -0.12  -0.01   0.08    -0.10   0.02  -0.23     0.02   0.06   0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --    235.6803               258.0366               313.1501
 Red. masses --      7.0100                 7.0185                 6.1835
 Frc consts  --      0.2294                 0.2753                 0.3573
 IR Inten    --      1.1777                45.7005                27.4254
 RamAct Fr= 1--      0.6095                 0.0117                 1.0382
  Dep-P Fr= 1--      0.2419                 0.7500                 0.1018
  Dep-U Fr= 1--      0.3895                 0.8571                 0.1848
 Alpha2 Fr= 1--      0.0074                 0.0000                 0.0181
 Beta2  Fr= 1--      0.0396                 0.0017                 0.0320
 AlphaG Fr= 1--     -0.0111                -0.0000                -0.0046
 Gamma2 Fr= 1--     -0.2217                 0.0729                 0.2472
 Delta2 Fr= 1--     -0.1512                 0.0001                 0.1330
 Raman1 Fr= 1--       2.438                  0.047                  4.153
 ROA1   Fr= 1--     -26.122                  7.003                 27.984
 CID1   Fr= 1--     -10.714                149.414                  6.738
 Raman2 Fr= 1--       0.475                  0.020                  0.384
 ROA2   Fr= 1--      -4.112                  1.749                  4.868
 CID2   Fr= 1--      -8.659                 87.056                 12.688
 Raman3 Fr= 1--       0.950                  0.040                  0.767
 ROA3   Fr= 1--     -26.122                  7.003                 27.984
 CID3   Fr= 1--     -27.504                174.319                 36.469
 RC180  Fr= 1--      -0.221                  0.714                 -0.630
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.01   0.09     0.04   0.02   0.07     0.03  -0.08   0.05
     2   8     0.23   0.04   0.06     0.19   0.03   0.13    -0.04  -0.05  -0.11
     3   8     0.09  -0.08   0.04     0.03  -0.14  -0.08     0.15   0.15   0.19
     4   6     0.02   0.11   0.08    -0.04   0.07   0.08     0.00  -0.09   0.07
     5   6    -0.02  -0.11   0.08    -0.04   0.07  -0.08    -0.00   0.09   0.07
     6   6    -0.11  -0.01   0.09     0.04   0.02  -0.07    -0.03   0.08   0.05
     7   8    -0.23  -0.04   0.06     0.19   0.03  -0.13     0.04   0.05  -0.11
     8   8     0.18   0.14  -0.22    -0.19   0.04   0.26    -0.12  -0.09  -0.18
     9   8    -0.18  -0.14  -0.22    -0.19   0.04  -0.26     0.12   0.09  -0.18
    10   8    -0.09   0.08   0.04     0.03  -0.14   0.08    -0.15  -0.15   0.19
    11   1    -0.09   0.30   0.12     0.06  -0.06   0.07    -0.00  -0.00   0.11
    12   1     0.09  -0.30   0.12     0.06  -0.06  -0.07     0.00   0.00   0.11
    13   1    -0.07   0.04  -0.03    -0.21  -0.12   0.12    -0.36  -0.07   0.37
    14   1     0.07  -0.04  -0.03    -0.21  -0.12  -0.12     0.36   0.07   0.37
    15   1     0.26  -0.08  -0.31    -0.28   0.20   0.30    -0.08  -0.10  -0.15
    16   1    -0.26   0.08  -0.31    -0.28   0.20  -0.30     0.08   0.10  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    316.8206               383.7256               436.0389
 Red. masses --      6.5230                 9.9559                 6.7727
 Frc consts  --      0.3858                 0.8637                 0.7587
 IR Inten    --     17.3903                 0.5802                31.4800
 RamAct Fr= 1--      0.0734                 2.2767                 1.0406
  Dep-P Fr= 1--      0.7500                 0.7327                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8458                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0007                 0.0000
 Beta2  Fr= 1--      0.0105                 0.3209                 0.1487
 AlphaG Fr= 1--      0.0000                -0.0044                -0.0000
 Gamma2 Fr= 1--     -0.0403                -0.1469                 1.2017
 Delta2 Fr= 1--     -0.0083                -0.2183                 0.4692
 Raman1 Fr= 1--       0.294                  9.107                  4.162
 ROA1   Fr= 1--      -4.131                -21.094                130.377
 CID1   Fr= 1--     -14.060                 -2.316                 31.322
 Raman2 Fr= 1--       0.126                  3.851                  1.784
 ROA2   Fr= 1--      -0.900                 -1.780                 25.086
 CID2   Fr= 1--      -7.151                 -0.462                 14.063
 Raman3 Fr= 1--       0.252                  7.702                  3.568
 ROA3   Fr= 1--      -4.131                -21.094                130.377
 CID3   Fr= 1--     -16.404                 -2.739                 36.542
 RC180  Fr= 1--       0.714                  0.692                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05  -0.08     0.05  -0.18  -0.05     0.17   0.02  -0.19
     2   8    -0.02   0.03   0.03    -0.09  -0.18  -0.18    -0.17  -0.11  -0.03
     3   8    -0.16  -0.11  -0.17     0.08  -0.09   0.06    -0.05  -0.07   0.04
     4   6    -0.05   0.01  -0.05     0.07  -0.10   0.02     0.24   0.12  -0.18
     5   6    -0.05   0.01   0.05    -0.07   0.10   0.02     0.24   0.12   0.18
     6   6    -0.06   0.05   0.08    -0.05   0.18  -0.05     0.17   0.02   0.19
     7   8    -0.02   0.03  -0.03     0.09   0.18  -0.18    -0.17  -0.11   0.03
     8   8     0.29   0.04   0.13     0.37  -0.09   0.14    -0.08   0.07   0.09
     9   8     0.29   0.04  -0.13    -0.37   0.09   0.14    -0.08   0.07  -0.09
    10   8    -0.16  -0.11   0.17    -0.08   0.09   0.06    -0.05  -0.07  -0.04
    11   1    -0.18  -0.01  -0.11     0.04  -0.12  -0.01     0.13  -0.07  -0.32
    12   1    -0.18  -0.01   0.11    -0.04   0.12  -0.01     0.13  -0.07   0.32
    13   1    -0.30  -0.04   0.33    -0.15   0.10   0.07     0.03  -0.03   0.06
    14   1    -0.30  -0.04  -0.33     0.15  -0.10   0.07     0.03  -0.03  -0.06
    15   1     0.24  -0.06  -0.01     0.33  -0.16   0.01    -0.16   0.28   0.17
    16   1     0.24  -0.06   0.01    -0.33   0.16   0.01    -0.16   0.28  -0.17
                     10                     11                     12
                      A                      A                      A
 Frequencies --    523.9481               540.3329               588.7258
 Red. masses --      4.9972                 7.8581                 6.2214
 Frc consts  --      0.8083                 1.3517                 1.2705
 IR Inten    --      9.0176                 1.6826                 0.3915
 RamAct Fr= 1--      3.9718                 2.3352                 5.0127
  Dep-P Fr= 1--      0.0872                 0.7500                 0.3145
  Dep-U Fr= 1--      0.1604                 0.8571                 0.4785
 Alpha2 Fr= 1--      0.0717                 0.0000                 0.0492
 Beta2  Fr= 1--      0.1062                 0.3336                 0.3998
 AlphaG Fr= 1--     -0.0289                -0.0000                 0.0680
 Gamma2 Fr= 1--      0.7847                -1.1289                -0.2283
 Delta2 Fr= 1--      0.4054                 0.0724                -0.8761
 Raman1 Fr= 1--      15.887                  9.341                 20.051
 ROA1   Fr= 1--      88.306               -106.055                -49.948
 CID1   Fr= 1--       5.558                -11.354                 -2.491
 Raman2 Fr= 1--       1.274                  4.003                  4.797
 ROA2   Fr= 1--      15.590                -27.672                  1.530
 CID2   Fr= 1--      12.236                 -6.912                  0.319
 Raman3 Fr= 1--       2.548                  8.007                  9.595
 ROA3   Fr= 1--      88.306               -106.055                -49.948
 CID3   Fr= 1--      34.655                -13.246                 -5.206
 RC180  Fr= 1--      -0.679                  0.714                 -0.043
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.05   0.14    -0.08  -0.18   0.13    -0.12   0.05   0.07
     2   8    -0.09   0.05  -0.15    -0.10  -0.08  -0.26     0.08   0.11   0.09
     3   8     0.01  -0.07  -0.12     0.12  -0.10  -0.01    -0.07   0.05  -0.08
     4   6    -0.07   0.02   0.25    -0.03   0.13   0.16    -0.02  -0.16   0.04
     5   6     0.07  -0.02   0.25    -0.03   0.13  -0.16     0.02   0.16   0.04
     6   6     0.12   0.05   0.14    -0.08  -0.18  -0.13     0.12  -0.05   0.07
     7   8     0.09  -0.05  -0.15    -0.10  -0.08   0.26    -0.08  -0.11   0.09
     8   8    -0.03   0.05  -0.02     0.05   0.21   0.07     0.11  -0.28  -0.08
     9   8     0.03  -0.05  -0.02     0.05   0.21  -0.07    -0.11   0.28  -0.08
    10   8    -0.01   0.07  -0.12     0.12  -0.10   0.01     0.07  -0.05  -0.08
    11   1    -0.06   0.20   0.33     0.18   0.28   0.33     0.15  -0.25   0.08
    12   1     0.06  -0.20   0.33     0.18   0.28  -0.33    -0.15   0.25   0.08
    13   1     0.28   0.08  -0.12    -0.00  -0.12  -0.02     0.12  -0.05  -0.07
    14   1    -0.28  -0.08  -0.12    -0.00  -0.12   0.02    -0.12   0.05  -0.07
    15   1    -0.12  -0.10  -0.25     0.09   0.06  -0.01     0.16  -0.40  -0.12
    16   1     0.12   0.10  -0.25     0.09   0.06   0.01    -0.16   0.40  -0.12
                     13                     14                     15
                      A                      A                      A
 Frequencies --    616.0253               674.3790               684.6102
 Red. masses --      3.7552                 1.1527                 1.1051
 Frc consts  --      0.8396                 0.3089                 0.3052
 IR Inten    --      4.0828                 4.1135               182.2890
 RamAct Fr= 1--      1.2276                 0.8186                 0.2684
  Dep-P Fr= 1--      0.7500                 0.6203                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7656                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0019                 0.0000
 Beta2  Fr= 1--      0.1754                 0.1045                 0.0383
 AlphaG Fr= 1--      0.0000                 0.0306                 0.0000
 Gamma2 Fr= 1--      1.1780                -0.5472                -0.0322
 Delta2 Fr= 1--      0.4025                -0.0491                 0.2099
 Raman1 Fr= 1--       4.910                  3.274                  1.074
 ROA1   Fr= 1--     125.974                -54.104                  3.622
 CID1   Fr= 1--      25.654                -16.523                  3.374
 Raman2 Fr= 1--       2.104                  1.254                  0.460
 ROA2   Fr= 1--      25.053                -12.741                 -2.453
 CID2   Fr= 1--      11.905                -10.164                 -5.332
 Raman3 Fr= 1--       4.209                  2.507                  0.920
 ROA3   Fr= 1--     125.974                -54.104                  3.622
 CID3   Fr= 1--      29.930                -21.581                  3.937
 RC180  Fr= 1--       0.714                  0.531                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.07   0.10     0.00   0.01  -0.00    -0.01   0.01   0.02
     2   8    -0.07   0.12  -0.04    -0.00   0.01  -0.03    -0.01   0.02  -0.00
     3   8    -0.02  -0.07  -0.10    -0.03  -0.03   0.01    -0.02  -0.02   0.00
     4   6     0.19  -0.01   0.08    -0.01  -0.01   0.04     0.01  -0.01   0.02
     5   6     0.19  -0.01  -0.08     0.01   0.01   0.04     0.01  -0.01  -0.02
     6   6    -0.01   0.07  -0.10    -0.00  -0.01  -0.00    -0.01   0.01  -0.02
     7   8    -0.07   0.12   0.04     0.00  -0.01  -0.03    -0.01   0.02   0.00
     8   8    -0.03  -0.10  -0.06    -0.02  -0.00  -0.02    -0.01  -0.01  -0.03
     9   8    -0.03  -0.10   0.06     0.02   0.00  -0.02    -0.01  -0.01   0.03
    10   8    -0.02  -0.07   0.10     0.03   0.03   0.01    -0.02  -0.02  -0.00
    11   1     0.37  -0.01   0.17    -0.05  -0.01   0.02     0.05  -0.03   0.02
    12   1     0.37  -0.01  -0.17     0.04   0.01   0.02     0.05  -0.03  -0.02
    13   1    -0.37  -0.06   0.13    -0.32  -0.13  -0.33     0.30   0.13   0.33
    14   1    -0.37  -0.06  -0.13     0.31   0.13  -0.33     0.31   0.14  -0.34
    15   1    -0.18  -0.03  -0.19     0.29   0.04   0.42     0.29   0.07   0.43
    16   1    -0.18  -0.03   0.19    -0.30  -0.04   0.42     0.28   0.07  -0.43
                     16                     17                     18
                      A                      A                      A
 Frequencies --    731.6679               806.7160               816.6370
 Red. masses --      6.9600                 6.1376                 5.2323
 Frc consts  --      2.1953                 2.3534                 2.0559
 IR Inten    --      0.2850                 5.7443                 1.0486
 RamAct Fr= 1--      3.4787                 1.7991                 7.4464
  Dep-P Fr= 1--      0.0396                 0.7500                 0.0390
  Dep-U Fr= 1--      0.0762                 0.8571                 0.0751
 Alpha2 Fr= 1--      0.0704                 0.0000                 0.1510
 Beta2  Fr= 1--      0.0442                 0.2570                 0.0932
 AlphaG Fr= 1--      0.0081                 0.0000                 0.1070
 Gamma2 Fr= 1--      0.8915                -0.9532                 0.1863
 Delta2 Fr= 1--     -0.0760                -0.6226                -0.0423
 Raman1 Fr= 1--      13.915                  7.196                 29.786
 ROA1   Fr= 1--      83.155               -111.426                 16.532
 CID1   Fr= 1--       5.976                -15.484                  0.555
 Raman2 Fr= 1--       0.530                  3.084                  1.118
 ROA2   Fr= 1--      22.004                -17.896                  4.810
 CID2   Fr= 1--      41.532                 -5.802                  4.301
 Raman3 Fr= 1--       1.060                  6.168                  2.237
 ROA3   Fr= 1--      83.155               -111.426                 16.532
 CID3   Fr= 1--      78.475                -18.064                  7.390
 RC180  Fr= 1--      -0.848                  0.714                 -0.850
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.32   0.20  -0.07     0.22   0.14   0.04    -0.08   0.00   0.24
     2   8    -0.18   0.11   0.02    -0.14   0.12  -0.01    -0.03   0.13  -0.06
     3   8     0.04  -0.15   0.04     0.13  -0.17   0.11     0.14  -0.11   0.04
     4   6     0.07  -0.01   0.08    -0.19  -0.03   0.00     0.09   0.02  -0.23
     5   6    -0.07   0.01   0.08    -0.19  -0.03  -0.00    -0.09  -0.02  -0.23
     6   6    -0.32  -0.20  -0.07     0.22   0.14  -0.04     0.08  -0.00   0.24
     7   8     0.18  -0.11   0.02    -0.14   0.12   0.01     0.03  -0.13  -0.06
     8   8    -0.01  -0.11  -0.05     0.02  -0.02  -0.01    -0.01  -0.02   0.02
     9   8     0.01   0.11  -0.05     0.02  -0.02   0.01     0.01   0.02   0.02
    10   8    -0.04   0.15   0.04     0.13  -0.17  -0.11    -0.14   0.11   0.04
    11   1    -0.20  -0.12  -0.10    -0.43  -0.07  -0.12     0.47  -0.04  -0.07
    12   1     0.20   0.12  -0.10    -0.43  -0.07   0.12    -0.47   0.04  -0.07
    13   1     0.37   0.09  -0.12    -0.17  -0.06   0.15     0.01  -0.01  -0.22
    14   1    -0.37  -0.09  -0.12    -0.17  -0.06  -0.15    -0.01   0.01  -0.22
    15   1    -0.11  -0.08  -0.15     0.08  -0.17  -0.06    -0.05   0.18   0.13
    16   1     0.11   0.08  -0.15     0.08  -0.17   0.06     0.05  -0.18   0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    825.3659               832.5993               951.4980
 Red. masses --      1.0668                 1.0520                 5.9019
 Frc consts  --      0.4282                 0.4297                 3.1482
 IR Inten    --      5.9392               145.2044                44.2832
 RamAct Fr= 1--      0.5783                 0.0718                 0.2326
  Dep-P Fr= 1--      0.7500                 0.1906                 0.7500
  Dep-U Fr= 1--      0.8571                 0.3201                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0010                 0.0000
 Beta2  Fr= 1--      0.0826                 0.0038                 0.0332
 AlphaG Fr= 1--     -0.0000                -0.0132                -0.0000
 Gamma2 Fr= 1--      0.2623                 0.1553                 0.3964
 Delta2 Fr= 1--     -0.0360                 0.0332                 0.0332
 Raman1 Fr= 1--       2.313                  0.287                  0.930
 ROA1   Fr= 1--      24.033                 15.974                 39.113
 CID1   Fr= 1--      10.390                 55.600                 42.046
 Raman2 Fr= 1--       0.991                  0.046                  0.399
 ROA2   Fr= 1--       6.584                  3.462                  9.248
 CID2   Fr= 1--       6.642                 75.272                 23.196
 Raman3 Fr= 1--       1.983                  0.092                  0.797
 ROA3   Fr= 1--      24.033                 15.974                 39.113
 CID3   Fr= 1--      12.121                173.677                 49.054
 RC180  Fr= 1--       0.714                 -0.360                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.19  -0.05   0.21
     2   8     0.01   0.01  -0.01    -0.00  -0.00  -0.00     0.01   0.08  -0.03
     3   8    -0.02  -0.01   0.02     0.02   0.01  -0.02     0.10  -0.04   0.02
     4   6     0.00   0.00   0.01     0.00   0.00   0.00     0.04   0.00  -0.33
     5   6     0.00   0.00  -0.01    -0.00  -0.00   0.00     0.04   0.00   0.33
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.19  -0.05  -0.21
     7   8     0.01   0.01   0.01     0.00   0.00  -0.00     0.01   0.08   0.03
     8   8     0.00  -0.00   0.03    -0.00   0.00  -0.03     0.01  -0.02   0.03
     9   8     0.00  -0.00  -0.03     0.00  -0.00  -0.03     0.01  -0.02  -0.03
    10   8    -0.02  -0.01  -0.02    -0.02  -0.01  -0.02     0.10  -0.04  -0.02
    11   1    -0.00   0.02   0.01     0.02   0.00   0.01    -0.18   0.06  -0.40
    12   1    -0.00   0.02  -0.01    -0.02  -0.00   0.01    -0.18   0.06   0.40
    13   1     0.37   0.16   0.34     0.36   0.16   0.33    -0.01  -0.00   0.07
    14   1     0.36   0.15  -0.34    -0.36  -0.16   0.34    -0.01  -0.00  -0.07
    15   1    -0.27  -0.08  -0.38     0.27   0.07   0.39    -0.16   0.24   0.04
    16   1    -0.27  -0.08   0.39    -0.27  -0.07   0.39    -0.16   0.24  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1061.4013              1099.3324              1116.3428
 Red. masses --      3.2926                 7.1915                 2.6612
 Frc consts  --      2.1855                 5.1207                 1.9540
 IR Inten    --     15.4596               148.7553                 1.3768
 RamAct Fr= 1--      2.0396                 0.0875                 3.6731
  Dep-P Fr= 1--      0.6783                 0.7500                 0.4976
  Dep-U Fr= 1--      0.8083                 0.8571                 0.6645
 Alpha2 Fr= 1--      0.0026                 0.0000                 0.0183
 Beta2  Fr= 1--      0.2748                 0.0125                 0.4068
 AlphaG Fr= 1--      0.0139                 0.0000                -0.0031
 Gamma2 Fr= 1--     -0.1399                 0.0859                 0.0860
 Delta2 Fr= 1--      0.3064                 0.0954                 0.8534
 Raman1 Fr= 1--       8.158                  0.350                 14.692
 ROA1   Fr= 1--      -3.621                 11.298                 35.563
 CID1   Fr= 1--      -0.444                 32.298                  2.421
 Raman2 Fr= 1--       3.297                  0.150                  4.882
 ROA2   Fr= 1--      -5.808                  1.297                 -4.763
 CID2   Fr= 1--      -1.762                  8.653                 -0.976
 Raman3 Fr= 1--       6.594                  0.300                  9.763
 ROA3   Fr= 1--      -3.621                 11.298                 35.563
 CID3   Fr= 1--      -0.549                 37.681                  3.642
 RC180  Fr= 1--       0.617                  0.714                  0.329
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.02     0.03  -0.03   0.01    -0.02  -0.02   0.03
     2   8     0.02  -0.05  -0.01     0.01  -0.05  -0.02     0.00  -0.01  -0.01
     3   8    -0.07   0.06  -0.05    -0.00   0.04   0.01     0.02   0.01   0.02
     4   6     0.25   0.10   0.06    -0.10   0.39   0.01    -0.09   0.19  -0.04
     5   6    -0.25  -0.10   0.06    -0.10   0.39  -0.01     0.09  -0.19  -0.04
     6   6    -0.05   0.03   0.02     0.03  -0.03  -0.01     0.02   0.02   0.03
     7   8    -0.02   0.05  -0.01     0.01  -0.05   0.02    -0.00   0.01  -0.01
     8   8    -0.01  -0.07  -0.02     0.05  -0.28   0.00     0.02  -0.14   0.01
     9   8     0.01   0.07  -0.02     0.06  -0.29  -0.00    -0.02   0.13   0.01
    10   8     0.07  -0.06  -0.05    -0.00   0.04  -0.01    -0.02  -0.01   0.02
    11   1     0.36   0.27   0.20    -0.04   0.44   0.07    -0.51   0.36  -0.15
    12   1    -0.36  -0.27   0.20    -0.04   0.44  -0.07     0.51  -0.36  -0.15
    13   1     0.02  -0.06  -0.06    -0.07   0.07   0.10     0.02  -0.02  -0.02
    14   1    -0.02   0.06  -0.06    -0.07   0.07  -0.10    -0.02   0.02  -0.02
    15   1    -0.20   0.32   0.08    -0.05   0.07   0.17    -0.07   0.09   0.09
    16   1     0.20  -0.32   0.08    -0.05   0.07  -0.17     0.07  -0.09   0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1229.7973              1234.4758              1263.7074
 Red. masses --      2.1232                 1.9832                 1.5577
 Frc consts  --      1.8919                 1.7807                 1.4656
 IR Inten    --     16.9145                 0.5649                 0.0004
 RamAct Fr= 1--      0.7507                16.3129                 2.4532
  Dep-P Fr= 1--      0.7500                 0.2069                 0.7055
  Dep-U Fr= 1--      0.8571                 0.3429                 0.8273
 Alpha2 Fr= 1--      0.0000                 0.2175                 0.0019
 Beta2  Fr= 1--      0.1072                 0.9322                 0.3383
 AlphaG Fr= 1--      0.0000                -0.0269                 0.0107
 Gamma2 Fr= 1--     -1.1050                 5.0741                -0.2824
 Delta2 Fr= 1--     -1.6209                 2.7629                -1.6907
 Raman1 Fr= 1--       3.003                 65.252                  9.813
 ROA1   Fr= 1--    -157.947                575.530                -81.217
 CID1   Fr= 1--     -52.603                  8.820                 -8.277
 Raman2 Fr= 1--       1.287                 11.187                  4.059
 ROA2   Fr= 1--     -13.552                 99.675                  6.747
 CID2   Fr= 1--     -10.532                  8.910                  1.662
 Raman3 Fr= 1--       2.574                 22.374                  8.118
 ROA3   Fr= 1--    -157.947                575.530                -81.217
 CID3   Fr= 1--     -61.370                 25.723                -10.004
 RC180  Fr= 1--       0.714                 -0.314                  0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.03  -0.13     0.11  -0.02   0.09    -0.01  -0.03   0.06
     2   8    -0.01   0.07   0.03     0.01  -0.07  -0.02     0.01   0.01  -0.00
     3   8     0.04  -0.08   0.01    -0.03   0.07   0.01    -0.01   0.02  -0.02
     4   6     0.00   0.02   0.02    -0.07   0.01  -0.03     0.10  -0.09  -0.00
     5   6     0.00   0.02  -0.02     0.07  -0.01  -0.03    -0.10   0.09  -0.00
     6   6    -0.11   0.03   0.13    -0.11   0.02   0.09     0.01   0.03   0.06
     7   8    -0.01   0.07  -0.03    -0.01   0.07  -0.02    -0.01  -0.01  -0.00
     8   8     0.02  -0.02  -0.00    -0.00   0.01  -0.00     0.00   0.03  -0.01
     9   8     0.02  -0.02   0.00     0.00  -0.01  -0.00    -0.00  -0.03  -0.01
    10   8     0.04  -0.08  -0.01     0.03  -0.07   0.01     0.01  -0.02  -0.02
    11   1     0.09   0.13   0.11     0.14  -0.15  -0.00    -0.58  -0.04  -0.29
    12   1     0.09   0.13  -0.11    -0.14   0.15  -0.00     0.58   0.04  -0.29
    13   1     0.44  -0.23  -0.38     0.44  -0.23  -0.39     0.11  -0.04  -0.07
    14   1     0.44  -0.23   0.38    -0.44   0.23  -0.39    -0.11   0.04  -0.07
    15   1    -0.07   0.13   0.02     0.07  -0.09   0.00    -0.07   0.15   0.03
    16   1    -0.07   0.13  -0.02    -0.07   0.09   0.00     0.07  -0.15   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1276.7484              1331.8815              1350.0539
 Red. masses --      1.1639                 1.4539                 1.3906
 Frc consts  --      1.1178                 1.5196                 1.4933
 IR Inten    --     35.6060                 0.0000               272.4235
 RamAct Fr= 1--      1.9194                 3.7769                 0.0784
  Dep-P Fr= 1--      0.7500                 0.7478                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8557                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.2742                 0.5387                 0.0112
 AlphaG Fr= 1--     -0.0000                 0.0025                -0.0000
 Gamma2 Fr= 1--      1.4577                 0.3600                -0.3408
 Delta2 Fr= 1--      1.0151                 0.6819                -0.0940
 Raman1 Fr= 1--       7.678                 15.108                  0.313
 ROA1   Fr= 1--     172.423                 56.383                -35.727
 CID1   Fr= 1--      22.458                  3.732               -113.995
 Raman2 Fr= 1--       3.290                  6.464                  0.134
 ROA2   Fr= 1--      26.864                  3.186                 -7.427
 CID2   Fr= 1--       8.164                  0.493                -55.298
 Raman3 Fr= 1--       6.581                 12.928                  0.269
 ROA3   Fr= 1--     172.423                 56.383                -35.727
 CID3   Fr= 1--      26.201                  4.361               -132.995
 RC180  Fr= 1--       0.714                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.01     0.03  -0.00  -0.01    -0.03   0.02  -0.06
     2   8    -0.00  -0.01  -0.00    -0.00   0.01   0.01     0.01  -0.01   0.01
     3   8    -0.01   0.01  -0.01    -0.00   0.00   0.00     0.04  -0.00   0.04
     4   6     0.03  -0.07   0.02    -0.06  -0.12  -0.04    -0.05  -0.04  -0.05
     5   6     0.03  -0.07  -0.02     0.06   0.12  -0.04    -0.05  -0.04   0.05
     6   6     0.02   0.01  -0.01    -0.03   0.00  -0.01    -0.03   0.02   0.06
     7   8    -0.00  -0.01   0.00     0.00  -0.01   0.01     0.01  -0.01  -0.01
     8   8     0.01  -0.01   0.00     0.02  -0.00   0.00     0.01   0.00   0.00
     9   8     0.01  -0.01  -0.00    -0.02   0.00   0.00     0.01   0.00  -0.00
    10   8    -0.01   0.01   0.01     0.00  -0.00   0.00     0.04  -0.00  -0.04
    11   1    -0.33   0.51   0.12     0.00   0.55   0.29     0.45   0.18   0.28
    12   1    -0.33   0.51  -0.12    -0.00  -0.55   0.29     0.45   0.18  -0.28
    13   1    -0.03   0.02   0.02     0.06  -0.03  -0.06    -0.28   0.13   0.25
    14   1    -0.03   0.02  -0.02    -0.06   0.03  -0.06    -0.28   0.13  -0.25
    15   1    -0.14   0.29   0.08    -0.13   0.26   0.07    -0.04   0.08   0.02
    16   1    -0.14   0.29  -0.08     0.13  -0.26   0.07    -0.04   0.08  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1395.0249              1400.8768              1464.7035
 Red. masses --      1.9049                 2.2973                 1.2431
 Frc consts  --      2.1841                 2.6562                 1.5713
 IR Inten    --    575.6193               231.6057                63.2067
 RamAct Fr= 1--      0.1600                 1.4110                 4.1453
  Dep-P Fr= 1--      0.7500                 0.5540                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7130                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0053                 0.0000
 Beta2  Fr= 1--      0.0229                 0.1677                 0.5922
 AlphaG Fr= 1--      0.0000                 0.0160                -0.0000
 Gamma2 Fr= 1--      0.2626                -1.4789                -3.0557
 Delta2 Fr= 1--      0.0895                -0.2761                -1.1906
 Raman1 Fr= 1--       0.640                  5.644                 16.581
 ROA1   Fr= 1--      28.072               -150.805               -331.448
 CID1   Fr= 1--      43.869                -26.719                -19.990
 Raman2 Fr= 1--       0.274                  2.012                  7.106
 ROA2   Fr= 1--       5.586                -33.284                -63.813
 CID2   Fr= 1--      20.368                -16.542                 -8.980
 Raman3 Fr= 1--       0.548                  4.024                 14.212
 ROA3   Fr= 1--      28.072               -150.805               -331.448
 CID3   Fr= 1--      51.180                -37.475                -23.322
 RC180  Fr= 1--       0.714                  0.426                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02   0.07    -0.13   0.04  -0.12     0.04   0.00   0.04
     2   8    -0.02   0.03  -0.00     0.02  -0.03   0.01    -0.01  -0.01  -0.01
     3   8    -0.06   0.01  -0.05     0.08  -0.01   0.08    -0.02   0.01  -0.02
     4   6    -0.05  -0.02  -0.09     0.07   0.00   0.03    -0.06  -0.01   0.01
     5   6    -0.05  -0.02   0.09    -0.07  -0.00   0.03    -0.06  -0.01  -0.01
     6   6     0.11  -0.02  -0.07     0.13  -0.04  -0.12     0.04   0.00  -0.03
     7   8    -0.02   0.03   0.00    -0.02   0.03   0.01    -0.01  -0.01   0.01
     8   8    -0.01   0.00   0.02    -0.02  -0.00   0.01     0.04  -0.00  -0.03
     9   8    -0.01   0.00  -0.02     0.02   0.00   0.00     0.04  -0.00   0.03
    10   8    -0.06   0.01   0.05    -0.08   0.01   0.08    -0.02   0.01   0.02
    11   1     0.33   0.28   0.22    -0.02   0.13   0.04     0.16  -0.30  -0.01
    12   1     0.33   0.28  -0.22     0.02  -0.13   0.04     0.17  -0.31   0.01
    13   1     0.30  -0.13  -0.27     0.45  -0.20  -0.40     0.08  -0.03  -0.06
    14   1     0.30  -0.13   0.27    -0.45   0.20  -0.40     0.08  -0.03   0.06
    15   1     0.11  -0.20  -0.01     0.05  -0.14  -0.03    -0.26   0.53   0.05
    16   1     0.11  -0.20   0.01    -0.05   0.14  -0.03    -0.27   0.54  -0.05
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1467.7897              1796.1372              1806.3201
 Red. masses --      1.2471                 8.9196                 8.8299
 Frc consts  --      1.5830                16.9542                16.9744
 IR Inten    --      0.1891                29.7083               422.7918
 RamAct Fr= 1--      3.3189                22.6799                 1.8945
  Dep-P Fr= 1--      0.4831                 0.1139                 0.7500
  Dep-U Fr= 1--      0.6515                 0.2045                 0.8571
 Alpha2 Fr= 1--      0.0177                 0.3838                 0.0000
 Beta2  Fr= 1--      0.3604                 0.7729                 0.2706
 AlphaG Fr= 1--     -0.0123                -0.2958                -0.0000
 Gamma2 Fr= 1--     -0.7456                -3.9924                 2.6002
 Delta2 Fr= 1--      0.5352                -2.5552                 2.9802
 Raman1 Fr= 1--      13.276                 90.720                  7.578
 ROA1   Fr= 1--     -54.449               -465.037                344.986
 CID1   Fr= 1--      -4.101                 -5.126                 45.525
 Raman2 Fr= 1--       4.324                  9.274                  3.248
 ROA2   Fr= 1--     -22.175                -75.376                 38.563
 CID2   Fr= 1--      -5.128                 -8.127                 11.874
 Raman3 Fr= 1--       8.649                 18.549                  6.495
 ROA3   Fr= 1--     -54.449               -465.037                344.986
 CID3   Fr= 1--      -6.296                -25.071                 53.112
 RC180  Fr= 1--       0.303                 -0.591                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.03     0.09  -0.46  -0.14    -0.10   0.46   0.13
     2   8     0.01   0.01   0.01    -0.05   0.27   0.09     0.05  -0.27  -0.09
     3   8     0.02  -0.00   0.02     0.00   0.04   0.02     0.00  -0.05  -0.02
     4   6    -0.05   0.01   0.04     0.00   0.05   0.01    -0.00  -0.00  -0.03
     5   6     0.05  -0.01   0.04    -0.00  -0.05   0.01    -0.00  -0.00   0.03
     6   6     0.03   0.00  -0.03    -0.09   0.46  -0.14    -0.10   0.46  -0.13
     7   8    -0.01  -0.01   0.01     0.05  -0.27   0.09     0.05  -0.27   0.09
     8   8     0.04  -0.01  -0.03    -0.00   0.01   0.00    -0.00  -0.01   0.00
     9   8    -0.04   0.01  -0.03     0.00  -0.01   0.00    -0.00  -0.01  -0.00
    10   8    -0.02   0.00   0.02    -0.00  -0.04   0.02     0.00  -0.05   0.02
    11   1     0.08  -0.34  -0.05     0.06  -0.05  -0.02     0.07   0.04   0.02
    12   1    -0.08   0.34  -0.05    -0.06   0.05  -0.02     0.07   0.04  -0.02
    13   1     0.06  -0.03  -0.06     0.24  -0.09  -0.24     0.27  -0.10  -0.23
    14   1    -0.06   0.02  -0.06    -0.24   0.09  -0.24     0.27  -0.10   0.23
    15   1    -0.26   0.54   0.07     0.05  -0.21   0.01     0.03  -0.18  -0.02
    16   1     0.26  -0.53   0.06    -0.05   0.21   0.01     0.03  -0.18   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3048.6905              3056.0142              3493.6054
 Red. masses --      1.0833                 1.0845                 1.0667
 Frc consts  --      5.9325                 5.9677                 7.6709
 IR Inten    --     17.9182                 2.3303                95.0628
 RamAct Fr= 1--     43.9089               154.0818               102.0626
  Dep-P Fr= 1--      0.7500                 0.0967                 0.0408
  Dep-U Fr= 1--      0.8571                 0.1763                 0.0784
 Alpha2 Fr= 1--      0.0000                 2.7197                 2.0605
 Beta2  Fr= 1--      6.2727                 4.5277                 1.3343
 AlphaG Fr= 1--     -0.0000                -0.3667                 1.0688
 Gamma2 Fr= 1--      3.7008                -8.8924                40.7053
 Delta2 Fr= 1--      6.3882                -6.1264                10.8269
 Raman1 Fr= 1--     175.636                616.327                408.250
 ROA1   Fr= 1--     559.698              -1049.719               4254.170
 CID1   Fr= 1--       3.187                 -1.703                 10.420
 Raman2 Fr= 1--      75.272                 54.333                 16.011
 ROA2   Fr= 1--      37.714               -164.407                890.311
 CID2   Fr= 1--       0.501                 -3.026                 55.605
 Raman3 Fr= 1--     150.544                108.666                 32.022
 ROA3   Fr= 1--     559.698              -1049.719               4254.170
 CID3   Fr= 1--       3.718                 -9.660                132.849
 RC180  Fr= 1--       0.714                 -0.647                 -0.843
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
     2   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
     4   6     0.02   0.02  -0.05     0.02   0.02  -0.05    -0.00  -0.00   0.00
     5   6     0.02   0.02   0.05    -0.02  -0.02  -0.05     0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.03  -0.02   0.02
     9   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.03   0.02   0.02
    10   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    11   1    -0.27  -0.27   0.59    -0.27  -0.27   0.59     0.01   0.01  -0.01
    12   1    -0.27  -0.27  -0.59     0.27   0.27   0.59    -0.01  -0.01  -0.01
    13   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.13   0.05
    14   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.13   0.05
    15   1     0.02   0.00  -0.01     0.01   0.00  -0.02     0.48   0.34  -0.37
    16   1     0.02   0.00   0.01    -0.01  -0.01  -0.02    -0.47  -0.33  -0.37
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3503.5680              3578.6925              3580.9456
 Red. masses --      1.0673                 1.0641                 1.0642
 Frc consts  --      7.7190                 8.0292                 8.0404
 IR Inten    --    494.0138               228.0157                86.2749
 RamAct Fr= 1--     13.6518                 7.0803                51.0917
  Dep-P Fr= 1--      0.7495                 0.7498                 0.0948
  Dep-U Fr= 1--      0.8568                 0.8570                 0.1732
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.9059
 Beta2  Fr= 1--      1.9495                 1.0113                 1.4752
 AlphaG Fr= 1--      0.0001                 0.0000                 0.0811
 Gamma2 Fr= 1--    -31.6995                 5.0893                -1.3531
 Delta2 Fr= 1--     -6.6329                 2.5153                -4.7173
 Raman1 Fr= 1--      54.607                 28.321                204.367
 ROA1   Fr= 1--   -3255.407                569.060               -280.845
 CID1   Fr= 1--     -59.615                 20.093                 -1.374
 Raman2 Fr= 1--      23.394                 12.136                 17.703
 ROA2   Fr= 1--    -707.726                102.020                  5.265
 CID2   Fr= 1--     -30.252                  8.406                  0.297
 Raman3 Fr= 1--      46.788                 24.272                 35.405
 ROA3   Fr= 1--   -3255.407                569.060               -280.845
 CID3   Fr= 1--     -69.577                 23.445                 -7.932
 RC180  Fr= 1--       0.714                  0.714                 -0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   8     0.00  -0.00  -0.00    -0.00  -0.04  -0.02     0.00   0.04   0.02
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     8   8    -0.03  -0.02   0.02     0.00   0.00  -0.00    -0.01  -0.00   0.00
     9   8    -0.03  -0.02  -0.02     0.00   0.00   0.00     0.01   0.00   0.00
    10   8     0.00  -0.00   0.00    -0.00  -0.04   0.02    -0.00  -0.04   0.02
    11   1     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   1     0.01   0.01   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1    -0.00   0.05  -0.02    -0.01   0.64  -0.28    -0.01   0.64  -0.28
    14   1    -0.00   0.05   0.02    -0.01   0.65   0.28     0.01  -0.63  -0.28
    15   1     0.49   0.33  -0.37    -0.04  -0.03   0.03     0.10   0.07  -0.08
    16   1     0.49   0.34   0.38    -0.04  -0.02  -0.03    -0.10  -0.07  -0.08

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  8 and mass  15.99491
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Molecular mass:   150.01644 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   987.111891545.354791868.90457
           X            0.99932  -0.03687  -0.00000
           Y            0.03687   0.99932  -0.00000
           Z            0.00000   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.08774     0.05605     0.04634
 Rotational constants (GHZ):           1.82830     1.16785     0.96567
 Zero-point vibrational energy     307027.7 (Joules/Mol)
                                   73.38139 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     86.54   115.52   141.76   339.09   371.26
          (Kelvin)            450.55   455.83   552.10   627.36   753.84
                              777.42   847.05   886.32   970.28   985.00
                             1052.71  1160.68  1174.96  1187.52  1197.92
                             1368.99  1527.12  1581.69  1606.17  1769.40
                             1776.14  1818.19  1836.96  1916.28  1942.43
                             2007.13  2015.55  2107.38  2111.82  2584.24
                             2598.89  4386.39  4396.92  5026.52  5040.85
                             5148.94  5152.18
 
 Zero-point correction=                           0.116941 (Hartree/Particle)
 Thermal correction to Energy=                    0.126064
 Thermal correction to Enthalpy=                  0.127008
 Thermal correction to Gibbs Free Energy=         0.082088
 Sum of electronic and zero-point Energies=           -607.578178
 Sum of electronic and thermal Energies=              -607.569055
 Sum of electronic and thermal Enthalpies=            -607.568111
 Sum of electronic and thermal Free Energies=         -607.613031
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   79.106             33.643             94.542
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.927
 Rotational               0.889              2.981             29.435
 Vibrational             77.329             27.681             24.180
 Vibration     1          0.597              1.973              4.452
 Vibration     2          0.600              1.963              3.884
 Vibration     3          0.604              1.950              3.483
 Vibration     4          0.655              1.786              1.835
 Vibration     5          0.667              1.749              1.675
 Vibration     6          0.701              1.649              1.346
 Vibration     7          0.704              1.641              1.326
 Vibration     8          0.753              1.505              1.024
 Vibration     9          0.796              1.392              0.839
 Vibration    10          0.879              1.197              0.601
 Vibration    11          0.895              1.161              0.565
 Vibration    12          0.946              1.056              0.469
 Vibration    13          0.976              0.998              0.423
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.174628D-37        -37.757887        -86.940748
 Total V=0       0.107411D+17         16.031048         36.912853
 Vib (Bot)       0.400050D-51        -51.397886       -118.348005
 Vib (Bot)    1  0.343317D+01          0.535695          1.233483
 Vib (Bot)    2  0.256496D+01          0.409081          0.941944
 Vib (Bot)    3  0.208355D+01          0.318804          0.734072
 Vib (Bot)    4  0.833602D+00         -0.079041         -0.181999
 Vib (Bot)    5  0.753453D+00         -0.122944         -0.283089
 Vib (Bot)    6  0.602732D+00         -0.219875         -0.506282
 Vib (Bot)    7  0.594463D+00         -0.225875         -0.520097
 Vib (Bot)    8  0.469953D+00         -0.327946         -0.755123
 Vib (Bot)    9  0.397704D+00         -0.400440         -0.922046
 Vib (Bot)   10  0.306955D+00         -0.512925         -1.181054
 Vib (Bot)   11  0.293124D+00         -0.532948         -1.227158
 Vib (Bot)   12  0.256568D+00         -0.590798         -1.360362
 Vib (Bot)   13  0.238389D+00         -0.622714         -1.433853
 Vib (V=0)       0.246065D+03          2.391050          5.505596
 Vib (V=0)    1  0.396938D+01          0.598723          1.378611
 Vib (V=0)    2  0.311324D+01          0.493213          1.135665
 Vib (V=0)    3  0.264270D+01          0.422048          0.971802
 Vib (V=0)    4  0.147206D+01          0.167924          0.386660
 Vib (V=0)    5  0.140426D+01          0.147448          0.339512
 Vib (V=0)    6  0.128313D+01          0.108269          0.249299
 Vib (V=0)    7  0.127678D+01          0.106116          0.244341
 Vib (V=0)    8  0.118619D+01          0.074154          0.170746
 Vib (V=0)    9  0.113888D+01          0.056478          0.130046
 Vib (V=0)   10  0.108670D+01          0.036111          0.083149
 Vib (V=0)   11  0.107959D+01          0.033258          0.076579
 Vib (V=0)   12  0.106198D+01          0.026118          0.060140
 Vib (V=0)   13  0.105392D+01          0.022808          0.052518
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.722208D+08          7.858662         18.095238
 Rotational      0.604417D+06          5.781336         13.312019
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     33 33             33                                           11          1111111111   111                                     
     55 54             00                                           87          4443332222   100   9 8888  766 6555  4 333 22        
     87 09             54                                           09          6609537633   196   5 3210  387 1842  3 811 53   986  
     19 44             69                                           66          8515027440   691   1 3577  254 6904  6 473 86   900  
 
     XX XX             XX                                           XX          XXXXX X XX   XXX   X XXXX  XXX XXXX  X XXX XX   XXX  
     XX XX                                                          X            XXXX         X    X X      X              X         
     XX XX                                                          X             XXX         X      X      X                        
      X X                                                           X             XXX         X      X      X                        
      X X                                                           X             XXX         X      X      X                        
      X X                                                           X             XXX                       X                        
      X X                                                           X             XXX                                                
      X X                                                           X             XXX                                                
        X                                                           X              XX                                                
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                                          X                                                 
        X                                                                          X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000011927    0.000008036   -0.000000449
      2        8           0.000000843   -0.000010721    0.000004190
      3        8          -0.000000785   -0.000000837    0.000001173
      4        6          -0.000003677   -0.000003648   -0.000004793
      5        6          -0.000006845   -0.000016616    0.000005352
      6        6           0.000004306    0.000000083   -0.000001205
      7        8          -0.000005931    0.000008061   -0.000000754
      8        8           0.000003501    0.000000616    0.000003380
      9        8          -0.000004346    0.000000887    0.000006984
     10        8           0.000000503    0.000000039   -0.000002243
     11        1          -0.000001790   -0.000003411   -0.000002441
     12        1           0.000004758    0.000007190   -0.000004825
     13        1           0.000000702    0.000002931    0.000000283
     14        1          -0.000002836   -0.000002321   -0.000001089
     15        1          -0.000001578    0.000004136    0.000000919
     16        1           0.000001250    0.000005574   -0.000004482
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016616 RMS     0.000004954
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.733493D+02 -0.582857D+01 -0.251805D-03
      2  -0.582857D+01  0.775708D+02  0.212996D-03
      3  -0.251805D-03  0.212996D-03  0.624906D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.859505D+01  0.564166D+01  0.121015D-03
      2  -0.264432D+02 -0.975475D+01 -0.713068D-03
      3   0.274726D-03 -0.442447D-04  0.156418D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.426270D-02  0.186877D-02 -0.411016D+02
      2   0.243967D-02 -0.655473D-03 -0.152527D+01
      3   0.182303D-02 -0.121330D-02  0.426268D+02
      4   0.212135D-03  0.141827D-02 -0.141424D+02
      5  -0.183541D+02 -0.416094D+01  0.442858D-03
      6  -0.960656D+00  0.167595D+01 -0.175421D-02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.618512D-01 -0.121585D+01  0.244628D+00  0.110685D+01 -0.105864D+01
      2  -0.121585D+01 -0.841650D+00 -0.890146D+00 -0.105864D+01  0.520407D+01
      3   0.244628D+00 -0.890146D+00 -0.924329D+00 -0.573238D-01  0.108999D+01
                 6             7             8             9            10 
      1  -0.573238D-01  0.143162D+01 -0.159363D+01 -0.211669D+00  0.154939D+01
      2   0.108999D+01 -0.159363D+01  0.135768D+01 -0.696348D+00 -0.250656D+01
      3   0.415955D+00 -0.211669D+00 -0.696348D+00 -0.136589D+00 -0.564586D+00
                11            12            13            14            15 
      1  -0.250656D+01 -0.564586D+00 -0.430459D+01  0.299241D+00 -0.104201D+01
      2  -0.192624D+00 -0.306198D-01  0.299241D+00 -0.112640D+02 -0.196697D+01
      3  -0.306198D-01  0.792723D+00 -0.104201D+01 -0.196697D+01 -0.299463D+01
                16            17            18            19            20 
      1  -0.113072D+01  0.257502D+00 -0.176829D-01 -0.570779D+01  0.144175D+01
      2   0.257502D+00 -0.265383D+01 -0.287473D+01  0.144175D+01 -0.853147D+00
      3  -0.176829D-01 -0.287473D+01 -0.249573D+01 -0.187668D+01  0.412520D+00
                21            22            23            24            25 
      1  -0.187668D+01 -0.562805D+00 -0.104575D+01 -0.384687D+00 -0.301265D+01
      2   0.412520D+00 -0.104575D+01 -0.162435D+01 -0.204701D+01  0.751846D+00
      3  -0.115018D+01 -0.384687D+00 -0.204701D+01 -0.488037D+00 -0.285298D+01
                26            27            28            29            30 
      1   0.751846D+00 -0.285298D+01 -0.442174D+01  0.162596D+01 -0.267639D-01
      2  -0.222963D+01  0.897778D+00  0.162596D+01  0.123867D+01  0.728410D-01
      3   0.897778D+00 -0.345814D+01 -0.267639D-01  0.728410D-01  0.239203D+01
                31            32            33            34            35 
      1   0.249942D+01  0.203273D+01 -0.630001D+00 -0.508677D+00  0.184178D+00
      2   0.203273D+01 -0.273471D+01 -0.809132D+00  0.184178D+00 -0.464688D+00
      3  -0.630001D+00 -0.809132D+00  0.337686D+01  0.227161D+01  0.208477D+01
                36            37            38            39            40 
      1   0.227161D+01  0.442228D+01 -0.162556D+01 -0.276005D-01 -0.249883D+01
      2   0.208477D+01 -0.162556D+01 -0.123870D+01  0.726064D-01 -0.203267D+01
      3  -0.241656D+01 -0.276005D-01  0.726064D-01 -0.239165D+01 -0.630029D+00
                41            42            43            44            45 
      1  -0.203267D+01 -0.630029D+00 -0.509266D+00  0.183831D+00 -0.227102D+01
      2   0.273529D+01 -0.809612D+00  0.183831D+00 -0.465205D+00 -0.208436D+01
      3  -0.809612D+00 -0.337645D+01 -0.227102D+01 -0.208436D+01 -0.241706D+01
                46            47            48            49            50 
      1   0.609447D-01  0.121564D+01  0.244997D+00 -0.110755D+01  0.105806D+01
      2   0.121564D+01  0.840987D+00 -0.889880D+00  0.105806D+01 -0.520472D+01
      3   0.244997D+00 -0.889880D+00  0.923651D+00 -0.570477D-01  0.109022D+01
                51            52            53            54            55 
      1  -0.570477D-01  0.143180D+01 -0.159322D+01  0.211130D+00 -0.154873D+01
      2   0.109022D+01 -0.159322D+01  0.135739D+01  0.696150D+00  0.250656D+01
      3  -0.416123D+00  0.211130D+00  0.696150D+00 -0.136494D+00 -0.564614D+00
                56            57            58            59            60 
      1   0.250656D+01 -0.564614D+00  0.430487D+01 -0.298779D+00 -0.104211D+01
      2   0.193055D+00 -0.306752D-01 -0.298779D+00  0.112643D+02 -0.196693D+01
      3  -0.306752D-01 -0.792354D+00 -0.104211D+01 -0.196693D+01  0.299471D+01
                61            62            63            64            65 
      1  -0.113062D+01  0.257489D+00  0.179801D-01 -0.420547D+01  0.152130D+01
      2   0.257489D+00 -0.265336D+01  0.287463D+01  0.152130D+01 -0.212674D+01
      3   0.179801D-01  0.287463D+01 -0.249549D+01  0.175115D+01 -0.167308D+00
                66            67            68            69            70 
      1   0.175115D+01 -0.448579D+00 -0.231250D+01  0.986388D+00  0.281646D+01
      2  -0.167308D+00 -0.231250D+01  0.618972D+01  0.196923D+01 -0.237089D-01
      3  -0.183416D+01  0.986388D+00  0.196923D+01  0.567973D-01 -0.185317D+01
                71            72            73            74            75 
      1  -0.237089D-01 -0.185317D+01  0.420567D+01 -0.152107D+01  0.175104D+01
      2   0.204032D+01  0.159090D+01 -0.152107D+01  0.212770D+01 -0.167575D+00
      3   0.159090D+01  0.262288D+01  0.175104D+01 -0.167575D+00  0.183425D+01
                76            77            78            79            80 
      1   0.448778D+00  0.231295D+01  0.986223D+00  0.281564D+01 -0.237004D-01
      2   0.231295D+01 -0.618901D+01  0.196932D+01 -0.237004D-01  0.204034D+01
      3   0.986223D+00  0.196932D+01 -0.567807D-01  0.185282D+01 -0.159084D+01
                81            82            83            84            85 
      1   0.185282D+01  0.570745D+01 -0.144174D+01 -0.187676D+01  0.562644D+00
      2  -0.159084D+01 -0.144174D+01  0.853237D+00  0.412423D+00  0.104563D+01
      3   0.262240D+01 -0.187676D+01  0.412423D+00  0.115033D+01 -0.384628D+00
                86            87            88            89            90 
      1   0.104563D+01 -0.384628D+00 -0.301251D+01  0.751786D+00  0.285296D+01
      2   0.162451D+01 -0.204702D+01  0.751786D+00 -0.222963D+01 -0.897792D+00
      3  -0.204702D+01  0.487993D+00  0.285296D+01 -0.897792D+00 -0.345847D+01
                91            92            93            94            95 
      1  -0.139235D+01 -0.848039D+00  0.189768D+01 -0.143384D+01 -0.103198D+01
      2  -0.848039D+00 -0.856825D+00  0.295239D+00 -0.103198D+01 -0.108216D+01
      3   0.189768D+01  0.295239D+00 -0.241962D+01  0.607729D+00  0.155689D+01
                96            97            98            99           100 
      1   0.607729D+00  0.229539D+01  0.475517D+00 -0.234994D+01  0.139213D+01
      2   0.155689D+01  0.475517D+00  0.164300D+01 -0.144163D+01  0.848025D+00
      3  -0.235920D+01 -0.234994D+01 -0.144163D+01  0.657454D+01  0.189769D+01
               101           102           103           104           105 
      1   0.848025D+00  0.189769D+01  0.143375D+01  0.103198D+01  0.607716D+00
      2   0.856818D+00  0.295249D+00  0.103198D+01  0.108216D+01  0.155687D+01
      3   0.295249D+00  0.241946D+01  0.607716D+00  0.155687D+01  0.235913D+01
               106           107           108           109           110 
      1   0.229542D+01  0.475555D+00  0.234976D+01  0.950453D+00 -0.878832D+00
      2   0.475555D+00  0.164313D+01  0.144163D+01 -0.878832D+00  0.693980D+00
      3   0.234976D+01  0.144163D+01  0.657447D+01  0.331800D+00  0.112422D+00
               111           112           113           114           115 
      1   0.331800D+00 -0.270252D+01  0.125271D+01  0.103450D+01  0.116689D+01
      2   0.112422D+00  0.125271D+01 -0.448699D+01  0.425281D+00 -0.367231D-01
      3   0.104884D+00  0.103450D+01  0.425281D+00 -0.178087D+01 -0.287696D+00
               116           117           118           119           120 
      1  -0.367231D-01 -0.287696D+00 -0.950500D+00  0.878712D+00  0.331770D+00
      2   0.103366D+01 -0.837585D+00  0.878712D+00 -0.694163D+00  0.112220D+00
      3  -0.837585D+00  0.363614D+00  0.331770D+00  0.112220D+00 -0.105063D+00
               121           122           123           124           125 
      1   0.270266D+01 -0.125271D+01  0.103440D+01  0.116697D+01 -0.368375D-01
      2  -0.125271D+01  0.448663D+01  0.425284D+00 -0.368375D-01  0.103352D+01
      3   0.103440D+01  0.425284D+00  0.178067D+01  0.287545D+00  0.837419D+00
               126           127           128           129           130 
      1   0.287545D+00  0.369546D+01  0.356957D+00 -0.175699D+01  0.170496D+01
      2   0.837419D+00  0.356957D+00  0.103897D+01  0.195312D+00  0.339712D+00
      3   0.363472D+00 -0.175699D+01  0.195312D+00  0.148964D+01 -0.514603D+00
               131           132           133           134           135 
      1   0.339712D+00 -0.514603D+00 -0.305832D+01 -0.149337D-01  0.119661D+01
      2   0.257659D+01 -0.218253D+00 -0.149337D-01 -0.726434D+00  0.436959D+00
      3  -0.218253D+00  0.116502D+01  0.119661D+01  0.436959D+00 -0.105372D+01
               136           137           138           139           140 
      1  -0.369533D+01 -0.357249D+00 -0.175675D+01 -0.170521D+01 -0.339992D+00
      2  -0.357249D+00 -0.103957D+01  0.195371D+00 -0.339992D+00 -0.257737D+01
      3  -0.175675D+01  0.195371D+00 -0.148961D+01 -0.514526D+00 -0.218148D+00
               141           142           143           144 
      1  -0.514526D+00 -0.305743D+01 -0.149503D-01 -0.119626D+01
      2  -0.218148D+00 -0.149503D-01 -0.726251D+00 -0.436945D+00
      3  -0.116504D+01 -0.119626D+01 -0.436945D+00 -0.105312D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.191048D+01 -0.325154D+01 -0.256865D+01 -0.406042D+01 -0.487141D+01
      2   0.102991D+02  0.564248D+01  0.641518D+01  0.649486D+01 -0.693674D+00
      3   0.302697D+01 -0.506722D+01 -0.291761D+01 -0.516667D+01  0.432736D+01
                 6             7             8             9            10 
      1   0.243239D+01  0.724983D+00  0.408379D+01  0.376405D+01  0.209827D+01
      2   0.240977D+01 -0.485046D+01  0.251739D+00 -0.965651D+01 -0.767985D+00
      3   0.304042D+01 -0.775427D+01  0.531810D+01 -0.247862D+01 -0.623198D+01
                11            12            13            14            15 
      1   0.270756D+00  0.831137D+00 -0.198177D+01  0.441702D+01 -0.969434D+01
      2  -0.212921D+01  0.230987D+00 -0.167608D+01  0.346888D+01  0.302284D+01
      3  -0.770001D+00  0.441355D+00  0.135537D+02 -0.170160D+02 -0.881087D+00
                16            17            18            19            20 
      1  -0.172979D+01  0.194944D+01 -0.426188D+01 -0.145546D+00  0.226321D+01
      2  -0.389866D+01  0.516832D+01  0.582274D+01 -0.143269D+01 -0.125516D+01
      3   0.461677D+01 -0.397650D+01 -0.405267D+01  0.990419D+00 -0.674761D+01
                21            22            23            24            25 
      1   0.200048D+01  0.206753D+01  0.445235D+01  0.109217D+01 -0.690556D+00
      2   0.481845D+01 -0.108667D+01  0.451454D+01  0.469588D+00  0.307059D+01
      3   0.231635D+00 -0.155020D+01 -0.680518D+01 -0.677953D+01 -0.227144D+00
                26            27            28            29            30 
      1   0.638935D+01  0.124547D+01  0.184961D+01  0.156134D+01 -0.259069D+00
      2   0.986671D+00  0.108931D+02  0.965617D+01 -0.510873D+00  0.108654D+01
      3  -0.889847D+01  0.107950D+01  0.114312D+01 -0.168765D+01 -0.301140D+00
                31            32            33            34            35 
      1   0.319125D+01 -0.352785D+01 -0.132573D+01  0.533132D+00  0.338489D+01
      2  -0.534088D+01 -0.168264D+01  0.708244D+00 -0.594354D+01 -0.461222D+00
      3   0.361718D+01 -0.184555D+01 -0.170120D+01  0.519918D-01 -0.119619D+01
                36            37            38            39            40 
      1   0.224991D+01 -0.184902D+01 -0.156138D+01 -0.259249D+00 -0.319101D+01
      2   0.180630D+01 -0.965785D+01  0.509845D+00  0.108844D+01  0.533929D+01
      3   0.105825D+01  0.114241D+01 -0.168742D+01  0.301386D+00  0.361737D+01
                41            42            43            44            45 
      1   0.352923D+01 -0.132619D+01  0.532405D+00  0.338426D+01 -0.224925D+01
      2   0.168160D+01  0.709057D+00 -0.594165D+01 -0.459818D+00 -0.180852D+01
      3  -0.184674D+01  0.170180D+01 -0.512762D-01  0.119671D+01  0.105740D+01
                46            47            48            49            50 
      1   0.190945D+01  0.325114D+01 -0.256699D+01  0.405992D+01  0.487004D+01
      2  -0.102979D+02 -0.564075D+01  0.641414D+01 -0.649219D+01  0.694756D+00
      3   0.302666D+01 -0.506650D+01  0.291702D+01 -0.516716D+01  0.432780D+01
                51            52            53            54            55 
      1   0.243280D+01  0.724645D+00  0.408401D+01 -0.376316D+01 -0.209753D+01
      2   0.240777D+01 -0.485070D+01  0.251137D+00  0.965712D+01  0.768702D+00
      3  -0.304065D+01  0.775241D+01 -0.531733D+01 -0.247780D+01 -0.623024D+01
                56            57            58            59            60 
      1  -0.270916D+00  0.829744D+00  0.198134D+01 -0.441692D+01 -0.969406D+01
      2   0.212894D+01  0.231164D+00  0.167503D+01 -0.346879D+01  0.302355D+01
      3  -0.770994D+00 -0.441764D+00  0.135532D+02 -0.170153D+02  0.881162D+00
                61            62            63            64            65 
      1  -0.173016D+01  0.194958D+01  0.426149D+01 -0.423278D+01 -0.293519D+01
      2  -0.389879D+01  0.516779D+01 -0.582174D+01  0.354234D+00 -0.224236D+01
      3  -0.461642D+01  0.397613D+01 -0.405186D+01 -0.122052D+02 -0.593181D+01
                66            67            68            69            70 
      1   0.505486D+01 -0.613900D+01  0.565837D+01 -0.181357D+01  0.502127D+01
      2   0.387170D+01 -0.796493D+00  0.661526D+00 -0.222912D+01 -0.236967D+01
      3   0.607287D+01  0.500678D-01  0.411430D+01  0.581704D+01  0.936617D+01
                71            72            73            74            75 
      1   0.475932D+01 -0.413499D+01  0.423258D+01  0.293591D+01  0.505487D+01
      2  -0.155440D+01 -0.211686D+01 -0.355355D+00  0.224186D+01  0.387153D+01
      3   0.309126D+01 -0.290915D+01 -0.122059D+02 -0.593379D+01 -0.607176D+01
                76            77            78            79            80 
      1   0.613970D+01 -0.565802D+01 -0.181265D+01  0.502018D+01  0.476009D+01
      2   0.796525D+00 -0.662023D+00 -0.222897D+01 -0.236997D+01 -0.155414D+01
      3   0.477169D-01  0.411299D+01 -0.581712D+01 -0.936403D+01 -0.309114D+01
                81            82            83            84            85 
      1   0.413352D+01  0.145729D+00 -0.226320D+01  0.200006D+01 -0.206711D+01
      2   0.211641D+01  0.143285D+01  0.125468D+01  0.481818D+01  0.108628D+01
      3  -0.290822D+01  0.990111D+00 -0.674764D+01 -0.231421D+00 -0.154896D+01
                86            87            88            89            90 
      1  -0.445262D+01  0.109259D+01 -0.690230D+00  0.638970D+01 -0.124587D+01
      2  -0.451462D+01  0.469975D+00  0.306988D+01  0.986650D+00 -0.108931D+02
      3  -0.680497D+01  0.677921D+01  0.227285D+00  0.889813D+01  0.107942D+01
                91            92            93            94            95 
      1  -0.964186D+00 -0.133089D+01  0.107358D-01 -0.128391D+01 -0.136342D+01
      2   0.232509D+00  0.501207D+00  0.341267D-01  0.179028D+01  0.118836D-01
      3  -0.473684D+00 -0.175433D+01  0.261540D+00  0.256276D+00 -0.116716D+01
                96            97            98            99           100 
      1   0.112339D+01  0.207485D+00  0.348960D+01 -0.122890D+01  0.964111D+00
      2   0.687597D+00 -0.294131D+01  0.283292D+00 -0.221081D+01 -0.232101D+00
      3   0.172204D+01 -0.275230D+00  0.215680D+01 -0.673846D+00 -0.473493D+00
               101           102           103           104           105 
      1   0.133082D+01  0.105999D-01  0.128393D+01  0.136313D+01  0.112328D+01
      2  -0.501236D+00  0.339790D-01 -0.179019D+01 -0.119023D-01  0.687516D+00
      3  -0.175421D+01 -0.261457D+00  0.256443D+00 -0.116687D+01 -0.172198D+01
               106           107           108           109           110 
      1   0.207489D+00  0.348954D+01  0.122840D+01  0.144142D+01  0.873708D+00
      2  -0.294135D+01  0.283108D+00  0.221120D+01 -0.863449D-01 -0.719010D+00
      3   0.275382D+00 -0.215693D+01 -0.673601D+00  0.271380D+01 -0.707528D+00
               111           112           113           114           115 
      1  -0.456886D+00  0.622893D+00  0.723890D+01 -0.374031D+01 -0.816909D+00
      2   0.136388D+00  0.735924D+00  0.268422D+01 -0.456008D+01 -0.758862D+00
      3  -0.114824D+01  0.932022D+00  0.142827D+02 -0.387914D+01 -0.154825D+01
               116           117           118           119           120 
      1  -0.252376D+01  0.150708D+01 -0.144132D+01 -0.873580D+00 -0.456520D+00
      2  -0.303959D+01  0.276564D+01  0.865432D-01  0.719477D+00  0.136765D+00
      3  -0.552866D+01  0.331275D+01  0.271359D+01 -0.707902D+00  0.114764D+01
               121           122           123           124           125 
      1  -0.623071D+00 -0.723800D+01 -0.373985D+01 -0.816621D+00 -0.252319D+01
      2  -0.735882D+00 -0.268401D+01 -0.455974D+01 -0.758720D+00 -0.303919D+01
      3   0.932379D+00  0.142824D+02  0.387919D+01  0.154817D+01  0.552848D+01
               126           127           128           129           130 
      1  -0.150648D+01  0.708605D+01  0.218043D+01 -0.461236D+01  0.320016D+01
      2  -0.276529D+01 -0.156140D+01  0.495217D+00 -0.970267D+00 -0.457380D+00
      3   0.331217D+01  0.124938D+02  0.327295D+01 -0.691779D+01  0.664565D+01
               131           132           133           134           135 
      1   0.218961D+01 -0.369873D+01 -0.470658D+01 -0.213932D+01  0.388368D+01
      2   0.129012D+00 -0.509005D+00 -0.646284D+00 -0.177305D+00  0.174962D+01
      3   0.265138D+01 -0.285765D+01 -0.999606D+01 -0.259346D+01  0.466342D+01
               136           137           138           139           140 
      1  -0.708637D+01 -0.218061D+01 -0.461276D+01 -0.320030D+01 -0.219051D+01
      2   0.156142D+01 -0.494989D+00 -0.969710D+00  0.457573D+00 -0.128764D+00
      3   0.124948D+02  0.327327D+01  0.691762D+01  0.664652D+01  0.265317D+01
               141           142           143           144 
      1  -0.369878D+01 -0.470597D+01 -0.213893D+01 -0.388295D+01
      2  -0.508993D+00 -0.646029D+00 -0.177381D+00 -0.174922D+01
      3   0.285735D+01  0.999450D+01  0.259307D+01  0.466286D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.512093D+01 -0.470494D+00 -0.839590D+00  0.605107D+01  0.157501D+02
      2   0.255238D+01  0.122748D+01  0.403750D+01 -0.589164D+01 -0.239425D+02
      3   0.256855D+01 -0.756983D+00 -0.319791D+01 -0.159426D+00  0.819242D+01
      4   0.941684D+01  0.215401D+01  0.226236D+01 -0.895203D+01 -0.129529D+02
      5  -0.690586D+01  0.236087D+01  0.137554D+00 -0.233573D+01 -0.243574D+01
      6  -0.132631D+01 -0.271674D+01  0.791968D+01 -0.391230D+01 -0.815047D+01
                 6             7             8             9            10 
      1   0.445189D+01 -0.110221D+02  0.885929D+01  0.355891D+01 -0.508460D+00
      2  -0.249888D+01  0.795448D+01 -0.896070D+01 -0.244102D+01  0.496685D+01
      3  -0.195301D+01  0.306765D+01  0.101412D+00 -0.111790D+01 -0.445839D+01
      4  -0.512816D+01 -0.532687D+00 -0.759561D+01  0.199921D+01  0.581037D+01
      5   0.501877D+01  0.677865D+00  0.445601D+01 -0.642335D+01  0.109177D+01
      6  -0.124342D+02  0.854322D+00 -0.120523D+01 -0.388041D+01  0.380849D+01
                11            12            13            14            15 
      1   0.887056D+01  0.273862D+01  0.904721D+01 -0.284687D+02 -0.404752D+01
      2  -0.389969D+01 -0.181759D+01 -0.289143D+01  0.477676D+02  0.342141D+01
      3  -0.497087D+01 -0.921030D+00 -0.615578D+01 -0.192990D+02  0.626112D+00
      4   0.135369D+02  0.254910D+01  0.156473D+02  0.325507D+02  0.581882D+01
      5   0.266325D+01  0.466597D+01  0.661434D+01  0.109055D+01  0.540013D+01
      6   0.493314D+00 -0.236246D+01  0.175622D+01  0.164701D+02  0.172836D+02
                16            17            18            19            20 
      1   0.397092D+01 -0.101883D+02 -0.111972D+02  0.415374D+02 -0.552971D+01
      2  -0.272786D+01  0.729814D+01  0.298770D+01 -0.249898D+02  0.282756D+01
      3  -0.124306D+01  0.289017D+01  0.820953D+01 -0.165476D+02  0.270215D+01
      4   0.327473D+01  0.777753D+01  0.830585D+01 -0.846095D+01  0.881219D+01
      5   0.555125D+01  0.596302D+01  0.610436D+01  0.157533D+02 -0.315561D+01
      6  -0.396526D+00  0.153508D+02  0.119418D+02 -0.336746D+01  0.313638D+01
                21            22            23            24            25 
      1   0.794124D+01 -0.597354D+00  0.198901D+01  0.262289D+01  0.136167D+02
      2  -0.696568D+01  0.501922D+00 -0.181665D+01 -0.196513D+01 -0.118344D+02
      3  -0.975553D+00  0.954318D-01 -0.172360D+00 -0.657762D+00 -0.178222D+01
      4  -0.297992D+01  0.106894D+02  0.544736D+01  0.913971D+01 -0.501230D+01
      5   0.142536D+02  0.512940D+00  0.971950D+01 -0.492365D+00  0.176391D+02
      6  -0.469204D+01  0.315084D+01 -0.185467D+01  0.774781D+01 -0.319009D+01
                26            27            28            29            30 
      1  -0.792078D+00  0.466989D+01  0.554631D+00 -0.300276D+01 -0.463670D+01
      2   0.701445D+00 -0.149744D+02  0.178591D+01  0.413814D+01 -0.440768D+01
      3   0.906326D-01  0.103045D+02 -0.234054D+01 -0.113538D+01  0.904439D+01
      4   0.105388D+02 -0.368149D+01 -0.258682D+01 -0.166732D+01  0.189195D+01
      5  -0.519860D+01  0.196606D+02  0.865884D+00  0.116866D+01 -0.707470D+01
      6   0.685844D+01 -0.551183D+01  0.611817D+01  0.381959D+01 -0.160397D+01
                31            32            33            34            35 
      1   0.106726D+01  0.289853D+01 -0.339371D+01 -0.197007D+01 -0.362030D+01
      2   0.310132D+01 -0.506551D+01 -0.697037D+01 -0.378252D+01 -0.141438D+01
      3  -0.416858D+01  0.216698D+01  0.103641D+02  0.575259D+01  0.503468D+01
      4  -0.727295D+01  0.455331D+01  0.185094D+01  0.173890D+01  0.276159D+01
      5   0.252540D+01  0.519371D+01 -0.697081D+01 -0.530426D+01 -0.450410D+01
      6   0.213872D+01 -0.348471D+01 -0.820026D+01 -0.132044D+01  0.280416D-01
                36            37            38            39            40 
      1  -0.519640D+00  0.556174D+00 -0.300235D+01  0.463567D+01  0.106791D+01
      2   0.970817D+01  0.178558D+01  0.413843D+01  0.440768D+01  0.310045D+01
      3  -0.918853D+01 -0.234175D+01 -0.113609D+01 -0.904335D+01 -0.416835D+01
      4  -0.296621D+01 -0.258526D+01 -0.166709D+01 -0.189197D+01 -0.727284D+01
      5   0.140410D+02 -0.866709D+00 -0.116854D+01 -0.707358D+01 -0.252509D+01
      6   0.909299D+01 -0.611784D+01 -0.382012D+01 -0.160351D+01 -0.213930D+01
                41            42            43            44            45 
      1   0.289893D+01  0.339278D+01  0.196876D+01  0.361891D+01 -0.518504D+00
      2  -0.506513D+01  0.697001D+01  0.378232D+01  0.141527D+01  0.970716D+01
      3   0.216620D+01 -0.103628D+02 -0.575108D+01 -0.503418D+01 -0.918865D+01
      4   0.455527D+01 -0.185213D+01 -0.173923D+01 -0.276261D+01 -0.296517D+01
      5  -0.519532D+01 -0.696962D+01 -0.530182D+01 -0.450289D+01 -0.140422D+02
      6   0.348557D+01 -0.820141D+01 -0.132003D+01  0.280898D-01 -0.909311D+01
                46            47            48            49            50 
      1  -0.512175D+01 -0.469671D+00  0.839902D+00  0.605014D+01  0.157486D+02
      2   0.255280D+01  0.122585D+01 -0.403780D+01 -0.589169D+01 -0.239424D+02
      3   0.256895D+01 -0.756175D+00  0.319790D+01 -0.158450D+00  0.819383D+01
      4   0.941561D+01  0.215228D+01 -0.226149D+01 -0.895412D+01 -0.129550D+02
      5   0.690691D+01 -0.236031D+01  0.136506D+00  0.233640D+01  0.243600D+01
      6   0.132658D+01  0.271763D+01  0.791806D+01  0.391192D+01  0.815071D+01
                51            52            53            54            55 
      1  -0.445080D+01  0.110216D+02 -0.885727D+01  0.355778D+01 -0.505987D+00
      2   0.249923D+01 -0.795333D+01  0.895921D+01 -0.244084D+01  0.496581D+01
      3   0.195157D+01 -0.306829D+01 -0.101941D+00 -0.111695D+01 -0.445982D+01
      4   0.512800D+01  0.532924D+00  0.759501D+01  0.199866D+01  0.581195D+01
      5   0.501770D+01  0.676455D+00  0.445535D+01  0.642374D+01 -0.109235D+01
      6  -0.124335D+02  0.853711D+00 -0.120546D+01  0.387947D+01 -0.380873D+01
                56            57            58            59            60 
      1   0.887009D+01 -0.273809D+01  0.904665D+01 -0.284673D+02  0.404665D+01
      2  -0.389864D+01  0.181753D+01 -0.289010D+01  0.477679D+02 -0.342120D+01
      3  -0.497145D+01  0.920552D+00 -0.615656D+01 -0.193006D+02 -0.625456D+00
      4   0.135389D+02 -0.254907D+01  0.156488D+02  0.325526D+02 -0.581832D+01
      5  -0.266310D+01  0.466639D+01 -0.661483D+01 -0.109024D+01  0.540103D+01
      6  -0.494211D+00 -0.236083D+01 -0.175603D+01 -0.164702D+02  0.172826D+02
                61            62            63            64            65 
      1  -0.397018D+01  0.101869D+02 -0.111958D+02  0.717193D+01  0.131244D+01
      2   0.272758D+01 -0.729655D+01  0.298799D+01 -0.383773D+01 -0.536317D+01
      3   0.124260D+01 -0.289039D+01  0.820783D+01 -0.333420D+01  0.405072D+01
      4  -0.327450D+01 -0.777628D+01  0.830613D+01 -0.113142D+02  0.108498D+02
      5   0.555160D+01  0.596318D+01 -0.610372D+01 -0.289180D+01  0.212295D+01
      6  -0.395208D+00  0.153505D+02 -0.119411D+02  0.855934D+01 -0.464719D+01
                66            67            68            69            70 
      1   0.178009D+01 -0.807994D+00 -0.123235D+02 -0.404707D+01  0.714914D+00
      2   0.130664D+01 -0.462945D+01  0.211551D+02  0.581281D+01  0.117325D+01
      3  -0.308672D+01  0.543745D+01 -0.883155D+01 -0.176574D+01 -0.188816D+01
      4   0.425267D+01  0.101937D+02 -0.148248D+02 -0.257656D+01  0.665683D+01
      5   0.878094D+01  0.127564D+01 -0.836756D+01 -0.193494D+01  0.710478D+01
      6  -0.510165D+01 -0.180407D+01  0.137535D+02  0.119173D+02 -0.554159D+01
                71            72            73            74            75 
      1  -0.599833D+01 -0.575208D+01  0.717352D+01  0.131454D+01 -0.178004D+01
      2   0.444673D+01 -0.308162D+01 -0.383983D+01 -0.536653D+01 -0.130635D+01
      3   0.155161D+01  0.883370D+01 -0.333369D+01  0.405199D+01  0.308639D+01
      4  -0.482104D+01 -0.593691D+01 -0.113147D+02  0.108499D+02 -0.425303D+01
      5  -0.423012D+01 -0.531136D+01  0.289281D+01 -0.212382D+01  0.878182D+01
      6   0.932123D+01  0.100381D+02 -0.855883D+01  0.464814D+01 -0.510182D+01
                76            77            78            79            80 
      1  -0.806709D+00 -0.123208D+02  0.404705D+01 -0.714593D+00  0.599866D+01
      2  -0.463081D+01  0.211507D+02 -0.581270D+01 -0.117345D+01 -0.444732D+01
      3   0.543751D+01 -0.882992D+01  0.176566D+01  0.188804D+01 -0.155134D+01
      4   0.101936D+02 -0.148260D+02  0.257706D+01 -0.665599D+01  0.482006D+01
      5  -0.127598D+01  0.836862D+01 -0.193529D+01  0.710522D+01 -0.423007D+01
      6   0.180484D+01 -0.137535D+02  0.119176D+02 -0.554048D+01  0.932071D+01
                81            82            83            84            85 
      1  -0.575119D+01  0.415342D+02 -0.552990D+01 -0.794147D+01 -0.597836D+00
      2  -0.308254D+01 -0.249886D+02  0.282790D+01  0.696595D+01  0.502227D+00
      3   0.883373D+01 -0.165457D+02  0.270200D+01  0.975520D+00  0.956092D-01
      4  -0.593627D+01 -0.846110D+01  0.881204D+01  0.297950D+01  0.106888D+02
      5   0.531095D+01 -0.157538D+02  0.315532D+01  0.142536D+02 -0.512882D+00
      6  -0.100371D+02  0.336715D+01 -0.313639D+01 -0.469171D+01 -0.315015D+01
                86            87            88            89            90 
      1   0.198859D+01 -0.262306D+01 -0.136157D+02  0.791611D+00  0.466906D+01
      2  -0.181704D+01  0.196506D+01  0.118338D+02 -0.701280D+00 -0.149746D+02
      3  -0.171553D+00  0.658002D+00  0.178193D+01 -0.903308D-01  0.103056D+02
      4   0.544774D+01 -0.913920D+01  0.501229D+01 -0.105387D+02 -0.368159D+01
      5  -0.971899D+01 -0.492482D+00  0.176389D+02 -0.519852D+01 -0.196613D+02
      6   0.185453D+01  0.774731D+01 -0.319008D+01  0.685881D+01  0.551231D+01
                91            92            93            94            95 
      1   0.306008D+01  0.138557D+01 -0.301060D+00  0.568320D+00 -0.229163D+01
      2  -0.712118D+01 -0.190075D+01  0.712908D+01 -0.171529D+01 -0.169496D+01
      3   0.406110D+01  0.515181D+00 -0.682802D+01  0.114697D+01  0.398660D+01
      4   0.282614D+01  0.338803D+01 -0.184156D+01  0.434281D+01  0.338983D+01
      5  -0.945410D+01 -0.252152D+01  0.131330D+02 -0.368538D+01 -0.543757D+01
      6  -0.333280D+01 -0.252836D+01  0.281858D+01 -0.310184D+01 -0.539671D+01
                96            97            98            99           100 
      1   0.393161D+01 -0.118401D+00  0.251937D+01 -0.100665D+02  0.305979D+01
      2   0.391847D+01  0.690351D+01  0.287407D+01 -0.171092D+02 -0.712083D+01
      3  -0.785009D+01 -0.678511D+01 -0.539344D+01  0.271757D+02  0.406104D+01
      4  -0.401132D+01 -0.202219D+01 -0.375785D+01  0.344408D+01  0.282612D+01
      5   0.746394D+01  0.120481D+02  0.445215D+01 -0.209630D+02  0.945381D+01
      6   0.921091D+01  0.270861D+01  0.635972D+01 -0.900842D+01  0.333315D+01
               101           102           103           104           105 
      1   0.138556D+01  0.301306D+00  0.568247D+00 -0.229165D+01 -0.393141D+01
      2  -0.190073D+01 -0.712858D+01 -0.171504D+01 -0.169483D+01 -0.391815D+01
      3   0.515171D+00  0.682728D+01  0.114679D+01  0.398648D+01  0.784955D+01
      4   0.338809D+01  0.184172D+01  0.434281D+01  0.338991D+01  0.401142D+01
      5   0.252160D+01  0.131324D+02  0.368521D+01  0.543762D+01  0.746378D+01
      6   0.252837D+01  0.281863D+01  0.310186D+01  0.539683D+01  0.921091D+01
               106           107           108           109           110 
      1   0.118778D+00 -0.251937D+01 -0.100663D+02  0.405891D+01 -0.408019D+01
      2  -0.690318D+01 -0.287413D+01 -0.171083D+02 -0.675805D+00  0.673676D+00
      3   0.678440D+01  0.539350D+01  0.271746D+02 -0.338310D+01  0.340651D+01
      4   0.202237D+01  0.375814D+01  0.344427D+01 -0.504916D+01  0.435671D+01
      5   0.120475D+02  0.445234D+01  0.209629D+02  0.175747D+01  0.556193D+00
      6   0.270876D+01  0.635985D+01  0.900921D+01  0.585361D-01 -0.556448D-01
               111           112           113           114           115 
      1   0.884508D+00 -0.110758D+02  0.275842D+01  0.270308D+01  0.643689D+01
      2  -0.103814D+01  0.464483D+01  0.411180D+01 -0.361658D+01 -0.329854D+01
      3   0.153628D+00  0.643099D+01 -0.687022D+01  0.913497D+00 -0.313835D+01
      4  -0.501405D+00  0.805941D+01 -0.203484D+02  0.919942D+00 -0.877343D+00
      5   0.350787D+00  0.496148D+01  0.193515D+01 -0.705709D+01 -0.758200D+00
      6  -0.216403D+00 -0.244774D+01  0.484811D+01  0.186262D+01  0.329130D+00
               116           117           118           119           120 
      1  -0.121506D+01 -0.141852D+01  0.405915D+01 -0.407957D+01 -0.884272D+00
      2  -0.240077D+00  0.207185D+01 -0.676041D+00  0.672960D+00  0.103777D+01
      3   0.145514D+01 -0.653331D+00 -0.338311D+01  0.340661D+01 -0.153498D+00
      4   0.467131D+01 -0.293544D+01 -0.504886D+01  0.435713D+01  0.502004D+00
      5  -0.340102D+01  0.281621D+01 -0.175744D+01 -0.555317D+00  0.351417D+00
      6   0.690015D+00  0.498408D+00 -0.585330D-01  0.552710D-01 -0.216679D+00
               121           122           123           124           125 
      1  -0.110765D+02  0.275904D+01 -0.270268D+01 -0.643717D+01  0.121568D+01
      2   0.464515D+01  0.411087D+01  0.361619D+01  0.329858D+01  0.239343D+00
      3   0.643138D+01 -0.686990D+01 -0.913519D+00  0.313859D+01 -0.145502D+01
      4   0.805954D+01 -0.203477D+02 -0.920332D+00  0.877892D+00 -0.467117D+01
      5  -0.496092D+01 -0.193541D+01 -0.705665D+01 -0.757396D+00 -0.340057D+01
      6   0.244727D+01 -0.484758D+01  0.186200D+01  0.328814D+00  0.689759D+00
               126           127           128           129           130 
      1  -0.141777D+01 -0.185465D+01 -0.237194D+01 -0.296306D+01 -0.230870D+01
      2   0.207101D+01  0.286994D+01  0.424035D+01 -0.622548D+00  0.299305D+01
      3  -0.653244D+00 -0.101529D+01 -0.186841D+01  0.358561D+01 -0.684356D+00
      4  -0.293521D+01  0.644290D+01 -0.264636D+01 -0.236754D+01  0.396723D+01
      5  -0.281587D+01  0.165191D+01  0.124615D+01 -0.300293D+01  0.168339D+01
      6  -0.498663D+00 -0.461859D+01  0.409452D+01  0.323786D+01 -0.119575D+01
               131           132           133           134           135 
      1  -0.616969D+01 -0.924228D-01  0.131842D+01  0.162359D+01 -0.105923D+00
      2   0.111995D+02 -0.214953D+01 -0.129050D+01 -0.356822D+01  0.200922D+01
      3  -0.502983D+01  0.224195D+01 -0.279243D-01  0.194463D+01 -0.190330D+01
      4  -0.730326D+00 -0.612453D+00 -0.507553D+01  0.357189D+01  0.177036D+01
      5   0.741787D+00 -0.142794D+01 -0.285204D+00 -0.452349D+00  0.233942D+01
      6   0.147303D+01  0.385868D+01  0.364159D+01  0.138248D+01 -0.261415D+01
               136           137           138           139           140 
      1  -0.185491D+01 -0.237361D+01  0.296261D+01 -0.231015D+01 -0.617184D+01
      2   0.287098D+01  0.424289D+01  0.622394D+00  0.299506D+01  0.112033D+02
      3  -0.101607D+01 -0.186928D+01 -0.358501D+01 -0.684912D+00 -0.503147D+01
      4   0.644262D+01 -0.264445D+01  0.236690D+01  0.396770D+01 -0.730121D+00
      5  -0.165205D+01 -0.124657D+01 -0.300214D+01 -0.168397D+01 -0.742125D+00
      6   0.461766D+01 -0.409455D+01  0.323826D+01  0.119526D+01 -0.147439D+01
               141           142           143           144 
      1   0.925841D-01 -0.131851D+01 -0.162346D+01 -0.106552D+00
      2   0.214962D+01  0.129044D+01  0.356831D+01  0.200905D+01
      3  -0.224220D+01  0.280633D-01 -0.194485D+01 -0.190250D+01
      4   0.612336D+00  0.507383D+01 -0.357110D+01  0.176973D+01
      5  -0.142816D+01 -0.284633D+00 -0.452384D+00 -0.233863D+01
      6   0.385860D+01  0.364094D+01  0.138313D+01  0.261275D+01
 Leave Link  716 at Thu Jul  8 23:10:56 2021, MaxMem= 10737418240 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.733493D+02 -0.582857D+01 -0.251805D-03
      2  -0.582857D+01  0.775708D+02  0.212996D-03
      3  -0.251805D-03  0.212996D-03  0.624906D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.859505D+01  0.564166D+01  0.121015D-03
      2  -0.264432D+02 -0.975475D+01 -0.713068D-03
      3   0.274726D-03 -0.442447D-04  0.156418D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.426270D-02  0.186877D-02 -0.411016D+02
      2   0.243967D-02 -0.655473D-03 -0.152527D+01
      3   0.182303D-02 -0.121330D-02  0.426268D+02
      4   0.212135D-03  0.141827D-02 -0.141424D+02
      5  -0.183541D+02 -0.416094D+01  0.442858D-03
      6  -0.960656D+00  0.167595D+01 -0.175421D-02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.618512D-01 -0.121585D+01  0.244628D+00  0.110685D+01 -0.105864D+01
      2  -0.121585D+01 -0.841650D+00 -0.890146D+00 -0.105864D+01  0.520407D+01
      3   0.244628D+00 -0.890146D+00 -0.924329D+00 -0.573238D-01  0.108999D+01
                 6             7             8             9            10 
      1  -0.573238D-01  0.143162D+01 -0.159363D+01 -0.211669D+00  0.154939D+01
      2   0.108999D+01 -0.159363D+01  0.135768D+01 -0.696348D+00 -0.250656D+01
      3   0.415955D+00 -0.211669D+00 -0.696348D+00 -0.136589D+00 -0.564586D+00
                11            12            13            14            15 
      1  -0.250656D+01 -0.564586D+00 -0.430459D+01  0.299241D+00 -0.104201D+01
      2  -0.192624D+00 -0.306198D-01  0.299241D+00 -0.112640D+02 -0.196697D+01
      3  -0.306198D-01  0.792723D+00 -0.104201D+01 -0.196697D+01 -0.299463D+01
                16            17            18            19            20 
      1  -0.113072D+01  0.257502D+00 -0.176829D-01 -0.570779D+01  0.144175D+01
      2   0.257502D+00 -0.265383D+01 -0.287473D+01  0.144175D+01 -0.853147D+00
      3  -0.176829D-01 -0.287473D+01 -0.249573D+01 -0.187668D+01  0.412520D+00
                21            22            23            24            25 
      1  -0.187668D+01 -0.562805D+00 -0.104575D+01 -0.384687D+00 -0.301265D+01
      2   0.412520D+00 -0.104575D+01 -0.162435D+01 -0.204701D+01  0.751846D+00
      3  -0.115018D+01 -0.384687D+00 -0.204701D+01 -0.488037D+00 -0.285298D+01
                26            27            28            29            30 
      1   0.751846D+00 -0.285298D+01 -0.442174D+01  0.162596D+01 -0.267639D-01
      2  -0.222963D+01  0.897778D+00  0.162596D+01  0.123867D+01  0.728410D-01
      3   0.897778D+00 -0.345814D+01 -0.267639D-01  0.728410D-01  0.239203D+01
                31            32            33            34            35 
      1   0.249942D+01  0.203273D+01 -0.630001D+00 -0.508677D+00  0.184178D+00
      2   0.203273D+01 -0.273471D+01 -0.809132D+00  0.184178D+00 -0.464688D+00
      3  -0.630001D+00 -0.809132D+00  0.337686D+01  0.227161D+01  0.208477D+01
                36            37            38            39            40 
      1   0.227161D+01  0.442228D+01 -0.162556D+01 -0.276005D-01 -0.249883D+01
      2   0.208477D+01 -0.162556D+01 -0.123870D+01  0.726064D-01 -0.203267D+01
      3  -0.241656D+01 -0.276005D-01  0.726064D-01 -0.239165D+01 -0.630029D+00
                41            42            43            44            45 
      1  -0.203267D+01 -0.630029D+00 -0.509266D+00  0.183831D+00 -0.227102D+01
      2   0.273529D+01 -0.809612D+00  0.183831D+00 -0.465205D+00 -0.208436D+01
      3  -0.809612D+00 -0.337645D+01 -0.227102D+01 -0.208436D+01 -0.241706D+01
                46            47            48            49            50 
      1   0.609447D-01  0.121564D+01  0.244997D+00 -0.110755D+01  0.105806D+01
      2   0.121564D+01  0.840987D+00 -0.889880D+00  0.105806D+01 -0.520472D+01
      3   0.244997D+00 -0.889880D+00  0.923651D+00 -0.570477D-01  0.109022D+01
                51            52            53            54            55 
      1  -0.570477D-01  0.143180D+01 -0.159322D+01  0.211130D+00 -0.154873D+01
      2   0.109022D+01 -0.159322D+01  0.135739D+01  0.696150D+00  0.250656D+01
      3  -0.416123D+00  0.211130D+00  0.696150D+00 -0.136494D+00 -0.564614D+00
                56            57            58            59            60 
      1   0.250656D+01 -0.564614D+00  0.430487D+01 -0.298779D+00 -0.104211D+01
      2   0.193055D+00 -0.306752D-01 -0.298779D+00  0.112643D+02 -0.196693D+01
      3  -0.306752D-01 -0.792354D+00 -0.104211D+01 -0.196693D+01  0.299471D+01
                61            62            63            64            65 
      1  -0.113062D+01  0.257489D+00  0.179801D-01 -0.420547D+01  0.152130D+01
      2   0.257489D+00 -0.265336D+01  0.287463D+01  0.152130D+01 -0.212674D+01
      3   0.179801D-01  0.287463D+01 -0.249549D+01  0.175115D+01 -0.167308D+00
                66            67            68            69            70 
      1   0.175115D+01 -0.448579D+00 -0.231250D+01  0.986388D+00  0.281646D+01
      2  -0.167308D+00 -0.231250D+01  0.618972D+01  0.196923D+01 -0.237089D-01
      3  -0.183416D+01  0.986388D+00  0.196923D+01  0.567973D-01 -0.185317D+01
                71            72            73            74            75 
      1  -0.237089D-01 -0.185317D+01  0.420567D+01 -0.152107D+01  0.175104D+01
      2   0.204032D+01  0.159090D+01 -0.152107D+01  0.212770D+01 -0.167575D+00
      3   0.159090D+01  0.262288D+01  0.175104D+01 -0.167575D+00  0.183425D+01
                76            77            78            79            80 
      1   0.448778D+00  0.231295D+01  0.986223D+00  0.281564D+01 -0.237004D-01
      2   0.231295D+01 -0.618901D+01  0.196932D+01 -0.237004D-01  0.204034D+01
      3   0.986223D+00  0.196932D+01 -0.567807D-01  0.185282D+01 -0.159084D+01
                81            82            83            84            85 
      1   0.185282D+01  0.570745D+01 -0.144174D+01 -0.187676D+01  0.562644D+00
      2  -0.159084D+01 -0.144174D+01  0.853237D+00  0.412423D+00  0.104563D+01
      3   0.262240D+01 -0.187676D+01  0.412423D+00  0.115033D+01 -0.384628D+00
                86            87            88            89            90 
      1   0.104563D+01 -0.384628D+00 -0.301251D+01  0.751786D+00  0.285296D+01
      2   0.162451D+01 -0.204702D+01  0.751786D+00 -0.222963D+01 -0.897792D+00
      3  -0.204702D+01  0.487993D+00  0.285296D+01 -0.897792D+00 -0.345847D+01
                91            92            93            94            95 
      1  -0.139235D+01 -0.848039D+00  0.189768D+01 -0.143384D+01 -0.103198D+01
      2  -0.848039D+00 -0.856825D+00  0.295239D+00 -0.103198D+01 -0.108216D+01
      3   0.189768D+01  0.295239D+00 -0.241962D+01  0.607729D+00  0.155689D+01
                96            97            98            99           100 
      1   0.607729D+00  0.229539D+01  0.475517D+00 -0.234994D+01  0.139213D+01
      2   0.155689D+01  0.475517D+00  0.164300D+01 -0.144163D+01  0.848025D+00
      3  -0.235920D+01 -0.234994D+01 -0.144163D+01  0.657454D+01  0.189769D+01
               101           102           103           104           105 
      1   0.848025D+00  0.189769D+01  0.143375D+01  0.103198D+01  0.607716D+00
      2   0.856818D+00  0.295249D+00  0.103198D+01  0.108216D+01  0.155687D+01
      3   0.295249D+00  0.241946D+01  0.607716D+00  0.155687D+01  0.235913D+01
               106           107           108           109           110 
      1   0.229542D+01  0.475555D+00  0.234976D+01  0.950453D+00 -0.878832D+00
      2   0.475555D+00  0.164313D+01  0.144163D+01 -0.878832D+00  0.693980D+00
      3   0.234976D+01  0.144163D+01  0.657447D+01  0.331800D+00  0.112422D+00
               111           112           113           114           115 
      1   0.331800D+00 -0.270252D+01  0.125271D+01  0.103450D+01  0.116689D+01
      2   0.112422D+00  0.125271D+01 -0.448699D+01  0.425281D+00 -0.367231D-01
      3   0.104884D+00  0.103450D+01  0.425281D+00 -0.178087D+01 -0.287696D+00
               116           117           118           119           120 
      1  -0.367231D-01 -0.287696D+00 -0.950500D+00  0.878712D+00  0.331770D+00
      2   0.103366D+01 -0.837585D+00  0.878712D+00 -0.694163D+00  0.112220D+00
      3  -0.837585D+00  0.363614D+00  0.331770D+00  0.112220D+00 -0.105063D+00
               121           122           123           124           125 
      1   0.270266D+01 -0.125271D+01  0.103440D+01  0.116697D+01 -0.368375D-01
      2  -0.125271D+01  0.448663D+01  0.425284D+00 -0.368375D-01  0.103352D+01
      3   0.103440D+01  0.425284D+00  0.178067D+01  0.287545D+00  0.837419D+00
               126           127           128           129           130 
      1   0.287545D+00  0.369546D+01  0.356957D+00 -0.175699D+01  0.170496D+01
      2   0.837419D+00  0.356957D+00  0.103897D+01  0.195312D+00  0.339712D+00
      3   0.363472D+00 -0.175699D+01  0.195312D+00  0.148964D+01 -0.514603D+00
               131           132           133           134           135 
      1   0.339712D+00 -0.514603D+00 -0.305832D+01 -0.149337D-01  0.119661D+01
      2   0.257659D+01 -0.218253D+00 -0.149337D-01 -0.726434D+00  0.436959D+00
      3  -0.218253D+00  0.116502D+01  0.119661D+01  0.436959D+00 -0.105372D+01
               136           137           138           139           140 
      1  -0.369533D+01 -0.357249D+00 -0.175675D+01 -0.170521D+01 -0.339992D+00
      2  -0.357249D+00 -0.103957D+01  0.195371D+00 -0.339992D+00 -0.257737D+01
      3  -0.175675D+01  0.195371D+00 -0.148961D+01 -0.514526D+00 -0.218148D+00
               141           142           143           144 
      1  -0.514526D+00 -0.305743D+01 -0.149503D-01 -0.119626D+01
      2  -0.218148D+00 -0.149503D-01 -0.726251D+00 -0.436945D+00
      3  -0.116504D+01 -0.119626D+01 -0.436945D+00 -0.105312D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.191048D+01 -0.325154D+01 -0.256865D+01 -0.406042D+01 -0.487141D+01
      2   0.102991D+02  0.564248D+01  0.641518D+01  0.649486D+01 -0.693674D+00
      3   0.302697D+01 -0.506722D+01 -0.291761D+01 -0.516667D+01  0.432736D+01
                 6             7             8             9            10 
      1   0.243239D+01  0.724983D+00  0.408379D+01  0.376405D+01  0.209827D+01
      2   0.240977D+01 -0.485046D+01  0.251739D+00 -0.965651D+01 -0.767985D+00
      3   0.304042D+01 -0.775427D+01  0.531810D+01 -0.247862D+01 -0.623198D+01
                11            12            13            14            15 
      1   0.270756D+00  0.831137D+00 -0.198177D+01  0.441702D+01 -0.969434D+01
      2  -0.212921D+01  0.230987D+00 -0.167608D+01  0.346888D+01  0.302284D+01
      3  -0.770001D+00  0.441355D+00  0.135537D+02 -0.170160D+02 -0.881087D+00
                16            17            18            19            20 
      1  -0.172979D+01  0.194944D+01 -0.426188D+01 -0.145546D+00  0.226321D+01
      2  -0.389866D+01  0.516832D+01  0.582274D+01 -0.143269D+01 -0.125516D+01
      3   0.461677D+01 -0.397650D+01 -0.405267D+01  0.990419D+00 -0.674761D+01
                21            22            23            24            25 
      1   0.200048D+01  0.206753D+01  0.445235D+01  0.109217D+01 -0.690556D+00
      2   0.481845D+01 -0.108667D+01  0.451454D+01  0.469588D+00  0.307059D+01
      3   0.231635D+00 -0.155020D+01 -0.680518D+01 -0.677953D+01 -0.227144D+00
                26            27            28            29            30 
      1   0.638935D+01  0.124547D+01  0.184961D+01  0.156134D+01 -0.259069D+00
      2   0.986671D+00  0.108931D+02  0.965617D+01 -0.510873D+00  0.108654D+01
      3  -0.889847D+01  0.107950D+01  0.114312D+01 -0.168765D+01 -0.301140D+00
                31            32            33            34            35 
      1   0.319125D+01 -0.352785D+01 -0.132573D+01  0.533132D+00  0.338489D+01
      2  -0.534088D+01 -0.168264D+01  0.708244D+00 -0.594354D+01 -0.461222D+00
      3   0.361718D+01 -0.184555D+01 -0.170120D+01  0.519918D-01 -0.119619D+01
                36            37            38            39            40 
      1   0.224991D+01 -0.184902D+01 -0.156138D+01 -0.259249D+00 -0.319101D+01
      2   0.180630D+01 -0.965785D+01  0.509845D+00  0.108844D+01  0.533929D+01
      3   0.105825D+01  0.114241D+01 -0.168742D+01  0.301386D+00  0.361737D+01
                41            42            43            44            45 
      1   0.352923D+01 -0.132619D+01  0.532405D+00  0.338426D+01 -0.224925D+01
      2   0.168160D+01  0.709057D+00 -0.594165D+01 -0.459818D+00 -0.180852D+01
      3  -0.184674D+01  0.170180D+01 -0.512762D-01  0.119671D+01  0.105740D+01
                46            47            48            49            50 
      1   0.190945D+01  0.325114D+01 -0.256699D+01  0.405992D+01  0.487004D+01
      2  -0.102979D+02 -0.564075D+01  0.641414D+01 -0.649219D+01  0.694756D+00
      3   0.302666D+01 -0.506650D+01  0.291702D+01 -0.516716D+01  0.432780D+01
                51            52            53            54            55 
      1   0.243280D+01  0.724645D+00  0.408401D+01 -0.376316D+01 -0.209753D+01
      2   0.240777D+01 -0.485070D+01  0.251137D+00  0.965712D+01  0.768702D+00
      3  -0.304065D+01  0.775241D+01 -0.531733D+01 -0.247780D+01 -0.623024D+01
                56            57            58            59            60 
      1  -0.270916D+00  0.829744D+00  0.198134D+01 -0.441692D+01 -0.969406D+01
      2   0.212894D+01  0.231164D+00  0.167503D+01 -0.346879D+01  0.302355D+01
      3  -0.770994D+00 -0.441764D+00  0.135532D+02 -0.170153D+02  0.881162D+00
                61            62            63            64            65 
      1  -0.173016D+01  0.194958D+01  0.426149D+01 -0.423278D+01 -0.293519D+01
      2  -0.389879D+01  0.516779D+01 -0.582174D+01  0.354234D+00 -0.224236D+01
      3  -0.461642D+01  0.397613D+01 -0.405186D+01 -0.122052D+02 -0.593181D+01
                66            67            68            69            70 
      1   0.505486D+01 -0.613900D+01  0.565837D+01 -0.181357D+01  0.502127D+01
      2   0.387170D+01 -0.796493D+00  0.661526D+00 -0.222912D+01 -0.236967D+01
      3   0.607287D+01  0.500678D-01  0.411430D+01  0.581704D+01  0.936617D+01
                71            72            73            74            75 
      1   0.475932D+01 -0.413499D+01  0.423258D+01  0.293591D+01  0.505487D+01
      2  -0.155440D+01 -0.211686D+01 -0.355355D+00  0.224186D+01  0.387153D+01
      3   0.309126D+01 -0.290915D+01 -0.122059D+02 -0.593379D+01 -0.607176D+01
                76            77            78            79            80 
      1   0.613970D+01 -0.565802D+01 -0.181265D+01  0.502018D+01  0.476009D+01
      2   0.796525D+00 -0.662023D+00 -0.222897D+01 -0.236997D+01 -0.155414D+01
      3   0.477169D-01  0.411299D+01 -0.581712D+01 -0.936403D+01 -0.309114D+01
                81            82            83            84            85 
      1   0.413352D+01  0.145729D+00 -0.226320D+01  0.200006D+01 -0.206711D+01
      2   0.211641D+01  0.143285D+01  0.125468D+01  0.481818D+01  0.108628D+01
      3  -0.290822D+01  0.990111D+00 -0.674764D+01 -0.231421D+00 -0.154896D+01
                86            87            88            89            90 
      1  -0.445262D+01  0.109259D+01 -0.690230D+00  0.638970D+01 -0.124587D+01
      2  -0.451462D+01  0.469975D+00  0.306988D+01  0.986650D+00 -0.108931D+02
      3  -0.680497D+01  0.677921D+01  0.227285D+00  0.889813D+01  0.107942D+01
                91            92            93            94            95 
      1  -0.964186D+00 -0.133089D+01  0.107358D-01 -0.128391D+01 -0.136342D+01
      2   0.232509D+00  0.501207D+00  0.341267D-01  0.179028D+01  0.118836D-01
      3  -0.473684D+00 -0.175433D+01  0.261540D+00  0.256276D+00 -0.116716D+01
                96            97            98            99           100 
      1   0.112339D+01  0.207485D+00  0.348960D+01 -0.122890D+01  0.964111D+00
      2   0.687597D+00 -0.294131D+01  0.283292D+00 -0.221081D+01 -0.232101D+00
      3   0.172204D+01 -0.275230D+00  0.215680D+01 -0.673846D+00 -0.473493D+00
               101           102           103           104           105 
      1   0.133082D+01  0.105999D-01  0.128393D+01  0.136313D+01  0.112328D+01
      2  -0.501236D+00  0.339790D-01 -0.179019D+01 -0.119023D-01  0.687516D+00
      3  -0.175421D+01 -0.261457D+00  0.256443D+00 -0.116687D+01 -0.172198D+01
               106           107           108           109           110 
      1   0.207489D+00  0.348954D+01  0.122840D+01  0.144142D+01  0.873708D+00
      2  -0.294135D+01  0.283108D+00  0.221120D+01 -0.863449D-01 -0.719010D+00
      3   0.275382D+00 -0.215693D+01 -0.673601D+00  0.271380D+01 -0.707528D+00
               111           112           113           114           115 
      1  -0.456886D+00  0.622893D+00  0.723890D+01 -0.374031D+01 -0.816909D+00
      2   0.136388D+00  0.735924D+00  0.268422D+01 -0.456008D+01 -0.758862D+00
      3  -0.114824D+01  0.932022D+00  0.142827D+02 -0.387914D+01 -0.154825D+01
               116           117           118           119           120 
      1  -0.252376D+01  0.150708D+01 -0.144132D+01 -0.873580D+00 -0.456520D+00
      2  -0.303959D+01  0.276564D+01  0.865432D-01  0.719477D+00  0.136765D+00
      3  -0.552866D+01  0.331275D+01  0.271359D+01 -0.707902D+00  0.114764D+01
               121           122           123           124           125 
      1  -0.623071D+00 -0.723800D+01 -0.373985D+01 -0.816621D+00 -0.252319D+01
      2  -0.735882D+00 -0.268401D+01 -0.455974D+01 -0.758720D+00 -0.303919D+01
      3   0.932379D+00  0.142824D+02  0.387919D+01  0.154817D+01  0.552848D+01
               126           127           128           129           130 
      1  -0.150648D+01  0.708605D+01  0.218043D+01 -0.461236D+01  0.320016D+01
      2  -0.276529D+01 -0.156140D+01  0.495217D+00 -0.970267D+00 -0.457380D+00
      3   0.331217D+01  0.124938D+02  0.327295D+01 -0.691779D+01  0.664565D+01
               131           132           133           134           135 
      1   0.218961D+01 -0.369873D+01 -0.470658D+01 -0.213932D+01  0.388368D+01
      2   0.129012D+00 -0.509005D+00 -0.646284D+00 -0.177305D+00  0.174962D+01
      3   0.265138D+01 -0.285765D+01 -0.999606D+01 -0.259346D+01  0.466342D+01
               136           137           138           139           140 
      1  -0.708637D+01 -0.218061D+01 -0.461276D+01 -0.320030D+01 -0.219051D+01
      2   0.156142D+01 -0.494989D+00 -0.969710D+00  0.457573D+00 -0.128764D+00
      3   0.124948D+02  0.327327D+01  0.691762D+01  0.664652D+01  0.265317D+01
               141           142           143           144 
      1  -0.369878D+01 -0.470597D+01 -0.213893D+01 -0.388295D+01
      2  -0.508993D+00 -0.646029D+00 -0.177381D+00 -0.174922D+01
      3   0.285735D+01  0.999450D+01  0.259307D+01  0.466286D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.512093D+01 -0.470494D+00 -0.839590D+00  0.605107D+01  0.157501D+02
      2   0.255238D+01  0.122748D+01  0.403750D+01 -0.589164D+01 -0.239425D+02
      3   0.256855D+01 -0.756983D+00 -0.319791D+01 -0.159426D+00  0.819242D+01
      4   0.941684D+01  0.215401D+01  0.226236D+01 -0.895203D+01 -0.129529D+02
      5  -0.690586D+01  0.236087D+01  0.137554D+00 -0.233573D+01 -0.243574D+01
      6  -0.132631D+01 -0.271674D+01  0.791968D+01 -0.391230D+01 -0.815047D+01
                 6             7             8             9            10 
      1   0.445189D+01 -0.110221D+02  0.885929D+01  0.355891D+01 -0.508460D+00
      2  -0.249888D+01  0.795448D+01 -0.896070D+01 -0.244102D+01  0.496685D+01
      3  -0.195301D+01  0.306765D+01  0.101412D+00 -0.111790D+01 -0.445839D+01
      4  -0.512816D+01 -0.532687D+00 -0.759561D+01  0.199921D+01  0.581037D+01
      5   0.501877D+01  0.677865D+00  0.445601D+01 -0.642335D+01  0.109177D+01
      6  -0.124342D+02  0.854322D+00 -0.120523D+01 -0.388041D+01  0.380849D+01
                11            12            13            14            15 
      1   0.887056D+01  0.273862D+01  0.904721D+01 -0.284687D+02 -0.404752D+01
      2  -0.389969D+01 -0.181759D+01 -0.289143D+01  0.477676D+02  0.342141D+01
      3  -0.497087D+01 -0.921030D+00 -0.615578D+01 -0.192990D+02  0.626112D+00
      4   0.135369D+02  0.254910D+01  0.156473D+02  0.325507D+02  0.581882D+01
      5   0.266325D+01  0.466597D+01  0.661434D+01  0.109055D+01  0.540013D+01
      6   0.493314D+00 -0.236246D+01  0.175622D+01  0.164701D+02  0.172836D+02
                16            17            18            19            20 
      1   0.397092D+01 -0.101883D+02 -0.111972D+02  0.415374D+02 -0.552971D+01
      2  -0.272786D+01  0.729814D+01  0.298770D+01 -0.249898D+02  0.282756D+01
      3  -0.124306D+01  0.289017D+01  0.820953D+01 -0.165476D+02  0.270215D+01
      4   0.327473D+01  0.777753D+01  0.830585D+01 -0.846095D+01  0.881219D+01
      5   0.555125D+01  0.596302D+01  0.610436D+01  0.157533D+02 -0.315561D+01
      6  -0.396526D+00  0.153508D+02  0.119418D+02 -0.336746D+01  0.313638D+01
                21            22            23            24            25 
      1   0.794124D+01 -0.597354D+00  0.198901D+01  0.262289D+01  0.136167D+02
      2  -0.696568D+01  0.501922D+00 -0.181665D+01 -0.196513D+01 -0.118344D+02
      3  -0.975553D+00  0.954318D-01 -0.172360D+00 -0.657762D+00 -0.178222D+01
      4  -0.297992D+01  0.106894D+02  0.544736D+01  0.913971D+01 -0.501230D+01
      5   0.142536D+02  0.512940D+00  0.971950D+01 -0.492365D+00  0.176391D+02
      6  -0.469204D+01  0.315084D+01 -0.185467D+01  0.774781D+01 -0.319009D+01
                26            27            28            29            30 
      1  -0.792078D+00  0.466989D+01  0.554631D+00 -0.300276D+01 -0.463670D+01
      2   0.701445D+00 -0.149744D+02  0.178591D+01  0.413814D+01 -0.440768D+01
      3   0.906326D-01  0.103045D+02 -0.234054D+01 -0.113538D+01  0.904439D+01
      4   0.105388D+02 -0.368149D+01 -0.258682D+01 -0.166732D+01  0.189195D+01
      5  -0.519860D+01  0.196606D+02  0.865884D+00  0.116866D+01 -0.707470D+01
      6   0.685844D+01 -0.551183D+01  0.611817D+01  0.381959D+01 -0.160397D+01
                31            32            33            34            35 
      1   0.106726D+01  0.289853D+01 -0.339371D+01 -0.197007D+01 -0.362030D+01
      2   0.310132D+01 -0.506551D+01 -0.697037D+01 -0.378252D+01 -0.141438D+01
      3  -0.416858D+01  0.216698D+01  0.103641D+02  0.575259D+01  0.503468D+01
      4  -0.727295D+01  0.455331D+01  0.185094D+01  0.173890D+01  0.276159D+01
      5   0.252540D+01  0.519371D+01 -0.697081D+01 -0.530426D+01 -0.450410D+01
      6   0.213872D+01 -0.348471D+01 -0.820026D+01 -0.132044D+01  0.280416D-01
                36            37            38            39            40 
      1  -0.519640D+00  0.556174D+00 -0.300235D+01  0.463567D+01  0.106791D+01
      2   0.970817D+01  0.178558D+01  0.413843D+01  0.440768D+01  0.310045D+01
      3  -0.918853D+01 -0.234175D+01 -0.113609D+01 -0.904335D+01 -0.416835D+01
      4  -0.296621D+01 -0.258526D+01 -0.166709D+01 -0.189197D+01 -0.727284D+01
      5   0.140410D+02 -0.866709D+00 -0.116854D+01 -0.707358D+01 -0.252509D+01
      6   0.909299D+01 -0.611784D+01 -0.382012D+01 -0.160351D+01 -0.213930D+01
                41            42            43            44            45 
      1   0.289893D+01  0.339278D+01  0.196876D+01  0.361891D+01 -0.518504D+00
      2  -0.506513D+01  0.697001D+01  0.378232D+01  0.141527D+01  0.970716D+01
      3   0.216620D+01 -0.103628D+02 -0.575108D+01 -0.503418D+01 -0.918865D+01
      4   0.455527D+01 -0.185213D+01 -0.173923D+01 -0.276261D+01 -0.296517D+01
      5  -0.519532D+01 -0.696962D+01 -0.530182D+01 -0.450289D+01 -0.140422D+02
      6   0.348557D+01 -0.820141D+01 -0.132003D+01  0.280898D-01 -0.909311D+01
                46            47            48            49            50 
      1  -0.512175D+01 -0.469671D+00  0.839902D+00  0.605014D+01  0.157486D+02
      2   0.255280D+01  0.122585D+01 -0.403780D+01 -0.589169D+01 -0.239424D+02
      3   0.256895D+01 -0.756175D+00  0.319790D+01 -0.158450D+00  0.819383D+01
      4   0.941561D+01  0.215228D+01 -0.226149D+01 -0.895412D+01 -0.129550D+02
      5   0.690691D+01 -0.236031D+01  0.136506D+00  0.233640D+01  0.243600D+01
      6   0.132658D+01  0.271763D+01  0.791806D+01  0.391192D+01  0.815071D+01
                51            52            53            54            55 
      1  -0.445080D+01  0.110216D+02 -0.885727D+01  0.355778D+01 -0.505987D+00
      2   0.249923D+01 -0.795333D+01  0.895921D+01 -0.244084D+01  0.496581D+01
      3   0.195157D+01 -0.306829D+01 -0.101941D+00 -0.111695D+01 -0.445982D+01
      4   0.512800D+01  0.532924D+00  0.759501D+01  0.199866D+01  0.581195D+01
      5   0.501770D+01  0.676455D+00  0.445535D+01  0.642374D+01 -0.109235D+01
      6  -0.124335D+02  0.853711D+00 -0.120546D+01  0.387947D+01 -0.380873D+01
                56            57            58            59            60 
      1   0.887009D+01 -0.273809D+01  0.904665D+01 -0.284673D+02  0.404665D+01
      2  -0.389864D+01  0.181753D+01 -0.289010D+01  0.477679D+02 -0.342120D+01
      3  -0.497145D+01  0.920552D+00 -0.615656D+01 -0.193006D+02 -0.625456D+00
      4   0.135389D+02 -0.254907D+01  0.156488D+02  0.325526D+02 -0.581832D+01
      5  -0.266310D+01  0.466639D+01 -0.661483D+01 -0.109024D+01  0.540103D+01
      6  -0.494211D+00 -0.236083D+01 -0.175603D+01 -0.164702D+02  0.172826D+02
                61            62            63            64            65 
      1  -0.397018D+01  0.101869D+02 -0.111958D+02  0.717193D+01  0.131244D+01
      2   0.272758D+01 -0.729655D+01  0.298799D+01 -0.383773D+01 -0.536317D+01
      3   0.124260D+01 -0.289039D+01  0.820783D+01 -0.333420D+01  0.405072D+01
      4  -0.327450D+01 -0.777628D+01  0.830613D+01 -0.113142D+02  0.108498D+02
      5   0.555160D+01  0.596318D+01 -0.610372D+01 -0.289180D+01  0.212295D+01
      6  -0.395208D+00  0.153505D+02 -0.119411D+02  0.855934D+01 -0.464719D+01
                66            67            68            69            70 
      1   0.178009D+01 -0.807994D+00 -0.123235D+02 -0.404707D+01  0.714914D+00
      2   0.130664D+01 -0.462945D+01  0.211551D+02  0.581281D+01  0.117325D+01
      3  -0.308672D+01  0.543745D+01 -0.883155D+01 -0.176574D+01 -0.188816D+01
      4   0.425267D+01  0.101937D+02 -0.148248D+02 -0.257656D+01  0.665683D+01
      5   0.878094D+01  0.127564D+01 -0.836756D+01 -0.193494D+01  0.710478D+01
      6  -0.510165D+01 -0.180407D+01  0.137535D+02  0.119173D+02 -0.554159D+01
                71            72            73            74            75 
      1  -0.599833D+01 -0.575208D+01  0.717352D+01  0.131454D+01 -0.178004D+01
      2   0.444673D+01 -0.308162D+01 -0.383983D+01 -0.536653D+01 -0.130635D+01
      3   0.155161D+01  0.883370D+01 -0.333369D+01  0.405199D+01  0.308639D+01
      4  -0.482104D+01 -0.593691D+01 -0.113147D+02  0.108499D+02 -0.425303D+01
      5  -0.423012D+01 -0.531136D+01  0.289281D+01 -0.212382D+01  0.878182D+01
      6   0.932123D+01  0.100381D+02 -0.855883D+01  0.464814D+01 -0.510182D+01
                76            77            78            79            80 
      1  -0.806709D+00 -0.123208D+02  0.404705D+01 -0.714593D+00  0.599866D+01
      2  -0.463081D+01  0.211507D+02 -0.581270D+01 -0.117345D+01 -0.444732D+01
      3   0.543751D+01 -0.882992D+01  0.176566D+01  0.188804D+01 -0.155134D+01
      4   0.101936D+02 -0.148260D+02  0.257706D+01 -0.665599D+01  0.482006D+01
      5  -0.127598D+01  0.836862D+01 -0.193529D+01  0.710522D+01 -0.423007D+01
      6   0.180484D+01 -0.137535D+02  0.119176D+02 -0.554048D+01  0.932071D+01
                81            82            83            84            85 
      1  -0.575119D+01  0.415342D+02 -0.552990D+01 -0.794147D+01 -0.597836D+00
      2  -0.308254D+01 -0.249886D+02  0.282790D+01  0.696595D+01  0.502227D+00
      3   0.883373D+01 -0.165457D+02  0.270200D+01  0.975520D+00  0.956092D-01
      4  -0.593627D+01 -0.846110D+01  0.881204D+01  0.297950D+01  0.106888D+02
      5   0.531095D+01 -0.157538D+02  0.315532D+01  0.142536D+02 -0.512882D+00
      6  -0.100371D+02  0.336715D+01 -0.313639D+01 -0.469171D+01 -0.315015D+01
                86            87            88            89            90 
      1   0.198859D+01 -0.262306D+01 -0.136157D+02  0.791611D+00  0.466906D+01
      2  -0.181704D+01  0.196506D+01  0.118338D+02 -0.701280D+00 -0.149746D+02
      3  -0.171553D+00  0.658002D+00  0.178193D+01 -0.903308D-01  0.103056D+02
      4   0.544774D+01 -0.913920D+01  0.501229D+01 -0.105387D+02 -0.368159D+01
      5  -0.971899D+01 -0.492482D+00  0.176389D+02 -0.519852D+01 -0.196613D+02
      6   0.185453D+01  0.774731D+01 -0.319008D+01  0.685881D+01  0.551231D+01
                91            92            93            94            95 
      1   0.306008D+01  0.138557D+01 -0.301060D+00  0.568320D+00 -0.229163D+01
      2  -0.712118D+01 -0.190075D+01  0.712908D+01 -0.171529D+01 -0.169496D+01
      3   0.406110D+01  0.515181D+00 -0.682802D+01  0.114697D+01  0.398660D+01
      4   0.282614D+01  0.338803D+01 -0.184156D+01  0.434281D+01  0.338983D+01
      5  -0.945410D+01 -0.252152D+01  0.131330D+02 -0.368538D+01 -0.543757D+01
      6  -0.333280D+01 -0.252836D+01  0.281858D+01 -0.310184D+01 -0.539671D+01
                96            97            98            99           100 
      1   0.393161D+01 -0.118401D+00  0.251937D+01 -0.100665D+02  0.305979D+01
      2   0.391847D+01  0.690351D+01  0.287407D+01 -0.171092D+02 -0.712083D+01
      3  -0.785009D+01 -0.678511D+01 -0.539344D+01  0.271757D+02  0.406104D+01
      4  -0.401132D+01 -0.202219D+01 -0.375785D+01  0.344408D+01  0.282612D+01
      5   0.746394D+01  0.120481D+02  0.445215D+01 -0.209630D+02  0.945381D+01
      6   0.921091D+01  0.270861D+01  0.635972D+01 -0.900842D+01  0.333315D+01
               101           102           103           104           105 
      1   0.138556D+01  0.301306D+00  0.568247D+00 -0.229165D+01 -0.393141D+01
      2  -0.190073D+01 -0.712858D+01 -0.171504D+01 -0.169483D+01 -0.391815D+01
      3   0.515171D+00  0.682728D+01  0.114679D+01  0.398648D+01  0.784955D+01
      4   0.338809D+01  0.184172D+01  0.434281D+01  0.338991D+01  0.401142D+01
      5   0.252160D+01  0.131324D+02  0.368521D+01  0.543762D+01  0.746378D+01
      6   0.252837D+01  0.281863D+01  0.310186D+01  0.539683D+01  0.921091D+01
               106           107           108           109           110 
      1   0.118778D+00 -0.251937D+01 -0.100663D+02  0.405891D+01 -0.408019D+01
      2  -0.690318D+01 -0.287413D+01 -0.171083D+02 -0.675805D+00  0.673676D+00
      3   0.678440D+01  0.539350D+01  0.271746D+02 -0.338310D+01  0.340651D+01
      4   0.202237D+01  0.375814D+01  0.344427D+01 -0.504916D+01  0.435671D+01
      5   0.120475D+02  0.445234D+01  0.209629D+02  0.175747D+01  0.556193D+00
      6   0.270876D+01  0.635985D+01  0.900921D+01  0.585361D-01 -0.556448D-01
               111           112           113           114           115 
      1   0.884508D+00 -0.110758D+02  0.275842D+01  0.270308D+01  0.643689D+01
      2  -0.103814D+01  0.464483D+01  0.411180D+01 -0.361658D+01 -0.329854D+01
      3   0.153628D+00  0.643099D+01 -0.687022D+01  0.913497D+00 -0.313835D+01
      4  -0.501405D+00  0.805941D+01 -0.203484D+02  0.919942D+00 -0.877343D+00
      5   0.350787D+00  0.496148D+01  0.193515D+01 -0.705709D+01 -0.758200D+00
      6  -0.216403D+00 -0.244774D+01  0.484811D+01  0.186262D+01  0.329130D+00
               116           117           118           119           120 
      1  -0.121506D+01 -0.141852D+01  0.405915D+01 -0.407957D+01 -0.884272D+00
      2  -0.240077D+00  0.207185D+01 -0.676041D+00  0.672960D+00  0.103777D+01
      3   0.145514D+01 -0.653331D+00 -0.338311D+01  0.340661D+01 -0.153498D+00
      4   0.467131D+01 -0.293544D+01 -0.504886D+01  0.435713D+01  0.502004D+00
      5  -0.340102D+01  0.281621D+01 -0.175744D+01 -0.555317D+00  0.351417D+00
      6   0.690015D+00  0.498408D+00 -0.585330D-01  0.552710D-01 -0.216679D+00
               121           122           123           124           125 
      1  -0.110765D+02  0.275904D+01 -0.270268D+01 -0.643717D+01  0.121568D+01
      2   0.464515D+01  0.411087D+01  0.361619D+01  0.329858D+01  0.239343D+00
      3   0.643138D+01 -0.686990D+01 -0.913519D+00  0.313859D+01 -0.145502D+01
      4   0.805954D+01 -0.203477D+02 -0.920332D+00  0.877892D+00 -0.467117D+01
      5  -0.496092D+01 -0.193541D+01 -0.705665D+01 -0.757396D+00 -0.340057D+01
      6   0.244727D+01 -0.484758D+01  0.186200D+01  0.328814D+00  0.689759D+00
               126           127           128           129           130 
      1  -0.141777D+01 -0.185465D+01 -0.237194D+01 -0.296306D+01 -0.230870D+01
      2   0.207101D+01  0.286994D+01  0.424035D+01 -0.622548D+00  0.299305D+01
      3  -0.653244D+00 -0.101529D+01 -0.186841D+01  0.358561D+01 -0.684356D+00
      4  -0.293521D+01  0.644290D+01 -0.264636D+01 -0.236754D+01  0.396723D+01
      5  -0.281587D+01  0.165191D+01  0.124615D+01 -0.300293D+01  0.168339D+01
      6  -0.498663D+00 -0.461859D+01  0.409452D+01  0.323786D+01 -0.119575D+01
               131           132           133           134           135 
      1  -0.616969D+01 -0.924228D-01  0.131842D+01  0.162359D+01 -0.105923D+00
      2   0.111995D+02 -0.214953D+01 -0.129050D+01 -0.356822D+01  0.200922D+01
      3  -0.502983D+01  0.224195D+01 -0.279243D-01  0.194463D+01 -0.190330D+01
      4  -0.730326D+00 -0.612453D+00 -0.507553D+01  0.357189D+01  0.177036D+01
      5   0.741787D+00 -0.142794D+01 -0.285204D+00 -0.452349D+00  0.233942D+01
      6   0.147303D+01  0.385868D+01  0.364159D+01  0.138248D+01 -0.261415D+01
               136           137           138           139           140 
      1  -0.185491D+01 -0.237361D+01  0.296261D+01 -0.231015D+01 -0.617184D+01
      2   0.287098D+01  0.424289D+01  0.622394D+00  0.299506D+01  0.112033D+02
      3  -0.101607D+01 -0.186928D+01 -0.358501D+01 -0.684912D+00 -0.503147D+01
      4   0.644262D+01 -0.264445D+01  0.236690D+01  0.396770D+01 -0.730121D+00
      5  -0.165205D+01 -0.124657D+01 -0.300214D+01 -0.168397D+01 -0.742125D+00
      6   0.461766D+01 -0.409455D+01  0.323826D+01  0.119526D+01 -0.147439D+01
               141           142           143           144 
      1   0.925841D-01 -0.131851D+01 -0.162346D+01 -0.106552D+00
      2   0.214962D+01  0.129044D+01  0.356831D+01  0.200905D+01
      3  -0.224220D+01  0.280633D-01 -0.194485D+01 -0.190250D+01
      4   0.612336D+00  0.507383D+01 -0.357110D+01  0.176973D+01
      5  -0.142816D+01 -0.284633D+00 -0.452384D+00 -0.233863D+01
      6   0.385860D+01  0.364094D+01  0.138313D+01  0.261275D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.935565D+00      0.237797D+01      0.793205D+01
   x         -0.219189D-04     -0.557122D-04     -0.185836D-03
   y         -0.101866D-03     -0.258916D-03     -0.863652D-03
   z          0.935565D+00      0.237797D+01      0.793205D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.657275D+02      0.973980D+01      0.108370D+02
   aniso      0.167597D+02      0.248353D+01      0.276330D+01
   xx         0.682333D+02      0.101111D+02      0.112502D+02
   yx        -0.589845D+01     -0.874060D+00     -0.972522D+00
   yy         0.718317D+02      0.106444D+02      0.118435D+02
   zx        -0.296794D-03     -0.439804D-04     -0.489348D-04
   zy         0.199159D-03      0.295122D-04      0.328368D-04
   zz         0.571173D+02      0.846392D+01      0.941738D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.711369D+02      0.105414D+02      0.117289D+02
   aniso      0.168371D+02      0.249501D+01      0.277607D+01
   xx         0.733493D+02      0.108692D+02      0.120937D+02
   yx        -0.582857D+01     -0.863705D+00     -0.961002D+00
   yy         0.775708D+02      0.114948D+02      0.127897D+02
   zx        -0.251805D-03     -0.373137D-04     -0.415171D-04
   zy         0.212996D-03      0.315627D-04      0.351182D-04
   zz         0.624906D+02      0.926015D+01      0.103033D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.76735853         -0.96502805         -0.57007385
     8         -2.31696074         -3.11815562         -1.19555530
     8         -4.48337387          0.44921833         -1.71637645
     6         -1.42254131          0.31564008          1.65808247
     6          1.42263979         -0.31523177          1.65805615
     6          2.76726756          0.96486607         -0.57045900
     8          2.31696707          3.11792165         -1.19628239
     8         -1.89866432          2.93902700          1.70264174
     8          1.89885183         -2.93862214          1.70328911
     8          4.48316494         -0.44963936         -1.71660582
     1         -2.23579019         -0.50729097          3.37023765
     1          2.23594810          0.50809288          3.36999020
     1          4.43580667         -2.10957318         -0.90336175
     1         -4.43594537          2.10930842         -0.90345073
     1         -0.57361606          3.73426375          0.68145216
     1          0.57369527         -3.73431743          0.68262209

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.935565D+00      0.237797D+01      0.793205D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.935565D+00      0.237797D+01      0.793205D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.657275D+02      0.973980D+01      0.108370D+02
   aniso      0.167597D+02      0.248353D+01      0.276330D+01
   xx         0.682333D+02      0.101111D+02      0.112502D+02
   yx        -0.589845D+01     -0.874060D+00     -0.972522D+00
   yy         0.718317D+02      0.106444D+02      0.118435D+02
   zx         0.850065D-04      0.125967D-04      0.140157D-04
   zy        -0.126477D-02     -0.187420D-03     -0.208533D-03
   zz         0.571173D+02      0.846392D+01      0.941738D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.711369D+02      0.105414D+02      0.117289D+02
   aniso      0.168371D+02      0.249501D+01      0.277607D+01
   xx         0.733493D+02      0.108692D+02      0.120937D+02
   yx        -0.582857D+01     -0.863705D+00     -0.961002D+00
   yy         0.775708D+02      0.114948D+02      0.127897D+02
   zx         0.128414D-03      0.190290D-04      0.211726D-04
   zy        -0.129240D-02     -0.191514D-03     -0.213088D-03
   zz         0.624906D+02      0.926015D+01      0.103033D+02

 ----------------------------------------------------------------------
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 ART, GLORY, FREEDOM FAIL, BUT NATURE STILL IS FAIR.

                                           -- BYRON
 Job cpu time:       0 days  5 hours 18 minutes  3.0 seconds.
 Elapsed time:       0 days  0 hours 19 minutes 55.0 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 23:10:57 2021.
